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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C(=O)O

InChI

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