4-[4-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[4-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-methylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-[4-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-(methylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O2S2/c1-11-3-7-13(8-4-11)20-15(18-19-16(20)23-2)12-5-9-14(10-6-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)