539810-74-7
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Name
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Formula
C24 H21 N7 O S
MolWeight
455.544
1Identification
【Name】
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD01431240
【English Synonyms】
【Formula】
C24 H21 N7 O S
【MolWeight】
455.544
【Inchi】
InChI=1S/C24H21N7OS/c1-17-11-13-18(14-12-17)25-23(32)16-33-24-28-27-22(31(24)19-7-3-2-4-8-19)15-30-21-10-6-5-9-20(21)26-29-30/h2-14H,15-16H2,1H3,(H,25,32)
【InChIKey】
InChIKey=PEHMSENOKHRMSC-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
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Country/Region:United States
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Catalog No:L444804-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 539810-74-7 Suppliers>>