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

Systemtic Name: 4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-[(4-methoxyphenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzenesulfonamide CAS Name: 4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide IUPAC Name: 4-[3-[(4-methoxyphenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenesulfonamide Traditional Name: 4-(3-p-anisyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzenesulfonamide Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S2/c1-23-13-6-2-11(3-7-13)10-15-18-19-16(24)20(15)12-4-8-14(9-5-12)25(17,21)22/h2-9H,10H2,1H3,(H,19,24)(H2,17,21,22)