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

Systemtic Name: 4-methyl-N-[4-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]phenyl]benzenesulfonamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S2/c1-17-8-14-21(15-9-17)33(30,31)27-20-12-10-19(11-13-20)23-25-26-24(28(23)2)32-16-22(29)18-6-4-3-5-7-18/h3-15,27H,16H2,1-2H3