Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate

ethyl 4-[[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate

Also Known As: ethyl 4-(2-((4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|Ethyl 4-[[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate|ethyl 4-(2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate|ethyl 4-[({[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Molecular Formula	C24H21N5O3S
Molecular Weight	459.1365 g/mol
LogP	4.2368
Topological Polar Surface Area	99.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	459.1365
Monoisotopic Mass	459.1365
Heavy Atoms	33
Complexity	1228.2166

Chemical Identifiers

CAS Number	712282-63-8
SMILES	CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4