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

Systemtic Name: 4-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-[(4-chlorophenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(4-chlorobenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C16H12ClN3O2S/c17-12-5-1-10(2-6-12)9-14-18-19-16(23)20(14)13-7-3-11(4-8-13)15(21)22/h1-8H,9H2,(H,19,23)(H,21,22)