539812-40-3
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
Name
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
Formula
C21 H21 Cl2 N5 O S
MolWeight
462.403
1Identification
【Name】
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154916
【English Synonyms】
【Formula】
C21 H21 Cl2 N5 O S
【MolWeight】
462.403
【Inchi】
InChI=1S/C21H21Cl2N5OS/c1-3-10-28-19(12-24-16-7-4-6-15(22)11-16)26-27-21(28)30-13-20(29)25-18-9-5-8-17(23)14(18)2/h3-9,11,24H,1,10,12-13H2,2H3,(H,25,29)
【InChIKey】
InChIKey=XCKDXFBEANEIHR-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)NC(=O)CSc2nnc(n2CC=C)CNc3cccc(c3)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ALLYL-5-[(3-CHLOROANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L445037-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539812-40-3 Suppliers>>
Catalog No:L445037-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539812-40-3 Suppliers>>