AC1NXO7S

[4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate

Also Known As: BAS 01809468|4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate|(E)-4-(1-(2-(2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate|[4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate|4-[(1E)-N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)ethanehydrazonoyl]phenyl acetate

Molecular Formula	C26H22ClN5O3S
Molecular Weight	519.11316 g/mol
LogP	5.1455
Topological Polar Surface Area	98.47 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	519.11316
Monoisotopic Mass	519.11316
Heavy Atoms	36
Complexity	1387.6191

Chemical Identifiers

CAS Number	306752-58-9
SMILES	C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)OC(=O)C