3-ethanoyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 3-ethanoyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Openeye Name: 3-acetyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 3-acetyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide IUPAC Name: 3-acetyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Traditional Name: 3-acetyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

InChI

InChI=1S/C17H16N4O3S2/c1-12(22)13-4-3-5-16(10-13)26(23,24)20-14-6-8-15(9-7-14)25-17-19-18-11-21(17)2/h3-11,20H,1-2H3