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

Systemtic Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(3,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-23-13-7-11(8-14(9-13)24-2)15-18-19-17(25)20(15)12-5-3-10(4-6-12)16(21)22/h3-9H,1-2H3,(H,19,25)(H,21,22)