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

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O4S2/c1-23-13-8-3-10(9-14(13)24-2)15-18-19-16(25)20(15)11-4-6-12(7-5-11)26(17,21)22/h3-9H,1-2H3,(H,19,25)(H2,17,21,22)