N-[4-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H16N4O3S2/c1-23-14-9-7-13(8-10-14)20-15(17-18-16(20)24)11-3-5-12(6-4-11)19-25(2,21)22/h3-10,19H,1-2H3,(H,18,24)