AC1OAULI

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

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

Molecular Formula	C20H20N4O2S
Molecular Weight	380.1307 g/mol
LogP	4.48559
Topological Polar Surface Area	83.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	380.1307
Monoisotopic Mass	380.1307
Heavy Atoms	27
Complexity	1056.576

Chemical Identifiers

CAS Number	613230-82-3
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(=O)O