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

Systemtic Name: 4-methyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methylbenzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-methyl-benzenesulfonamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2S2/c1-12-7-9-14(10-8-12)24(21,22)20-15-17-16(19-18-15)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,17,18,19,20)