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

Systemtic Name: 2-chloranyl-5-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-chloro-5-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)OC

InChI

InChI=1S/C17H14ClN3O4S/c1-24-13-6-3-9(7-14(13)25-2)15-19-20-17(26)21(15)10-4-5-12(18)11(8-10)16(22)23/h3-8H,1-2H3,(H,20,26)(H,22,23)