540498-73-5
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
Name
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
Formula
C21 H20 Cl N7 O S
MolWeight
453.956
1Identification
【Name】
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03494474
【English Synonyms】
【Formula】
C21 H20 Cl N7 O S
【MolWeight】
453.956
【Inchi】
InChI=1S/C21H20ClN7OS/c1-3-11-28-19(12-29-18-10-5-4-8-17(18)24-27-29)25-26-21(28)31-13-20(30)23-16-9-6-7-15(22)14(16)2/h3-10H,1,11-13H2,2H3,(H,23,30)
【InChIKey】
InChIKey=HGGTZNAFVIWVFA-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)NC(=O)CSc2nnc(n2CC=C)Cn3c4ccccc4nn3
【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-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L445630-1EA 10MG
Country/Region:United States
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Catalog No:L445630-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 540498-73-5 Suppliers>>