AC1OAL2P

4-[(E)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid

Also Known As: (E)-4-(((3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid|4-[[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic Acid|4-{(1E)-2-[5-(4-chlorophenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}benzo ic acid|4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid|4-[(E)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid|4-[(E)-{[3-(4-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

Molecular Formula	C16H11ClN4O2S
Molecular Weight	358.0291 g/mol
LogP	3.84149
Topological Polar Surface Area	83.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	358.0291
Monoisotopic Mass	358.0291
Heavy Atoms	24
Complexity	958.99255

Chemical Identifiers

CAS Number	613230-59-4
SMILES	C1=CC(=CC=C1/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl)C(=O)O