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

Systemtic Name: 4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Openeye Name: 4,5-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide CAS Name: 4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide IUPAC Name: 4,5-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Traditional Name: 4,5-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2=NNC(=S)N2C3=CC=CC=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C17H18N4O4S2/c1-24-13-8-11(15(27(18,22)23)10-14(13)25-2)9-16-19-20-17(26)21(16)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,20,26)(H2,18,22,23)