N,N-dimethyl-3-[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[4-(m-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[4-(3-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[4-(m-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C25H24N4O3S2/c1-18-9-7-13-21(15-18)29-24(20-12-8-14-22(16-20)34(31,32)28(2)3)26-27-25(29)33-17-23(30)19-10-5-4-6-11-19/h4-16H,17H2,1-3H3