isopropyl 3-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

propan-2-yl 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Also Known As: Oprea1_317560|BAS 04850458|AG-205/40649963|SR-01000533230-1|isopropyl 3-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|A2545/0108335|propan-2-yl 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|isopropyl 3-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester|Isopropyl 3-(([(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl)amino)benzoate #|propan-2-yl 3-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate|PROPAN-2-YL 3-{2-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}BENZOATE

Molecular Formula	C15H18N4O3S
Molecular Weight	334.10995 g/mol
LogP	1.8
Topological Polar Surface Area	111.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	334.10995
Monoisotopic Mass	334.10995
Heavy Atoms	23
Complexity	422.0

Chemical Identifiers

CAS Number	442869-67-2
SMILES	CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2C
InChIKey	XHBKDJWUSJORAM-UHFFFAOYSA-N