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

Systemtic Name: 2-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoic acid Openeye Name: 2-[2-[(3-chlorophenyl)methyl]-3-thioxo-1H-1,2,4-triazol-5-yl]benzoic acid CAS Name: 2-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoic acid IUPAC Name: 2-[2-[(3-chlorophenyl)methyl]-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzoic acid Traditional Name: 2-[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=C(C(=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=S)N(N2)CC3=CC(=CC=C3)Cl)C(=O)O

InChI

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