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539808-92-9
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE

Formula

C31 H28 N4 O3 S

MolWeight

536.653

CCD No.

CCD00391628

CAS

539808-92-9

MDL

MFCD03460711

1Identification

【Name】

2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE

【CAS】

539808-92-9

【MDL】

MFCD03460711

【English Synonyms】

2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE

【Formula】

C31 H28 N4 O3 S

【MolWeight】

536.653

【Inchi】

InChI=1S/C31H28N4O3S/c1-22-13-18-28(23(2)19-22)35-29(20-37-25-9-5-3-6-10-25)33-34-31(35)39-21-30(36)32-24-14-16-27(17-15-24)38-26-11-7-4-8-12-26/h3-19H,20-21H2,1-2H3,(H,32,36)

【InChIKey】

InChIKey=KHPFZUFKUAYRMC-UHFFFAOYSA-N

【SMILES】

Cc1ccc(c(c1)C)n2c(nnc2SCC(=O)Nc3ccc(cc3)Oc4ccccc4)COc5ccccc5

【MOL File】

2-[[4-(2,4-DIMETHYLP….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:7

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE.cml

Quick Release

TOP Suppliers

Sigma-Aldrich Corporation
Catalog No:L444243-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com

More 539808-92-9 Suppliers>>

539808-92-9 2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

539808-92-9
2-[[4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE