4-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(p-tolyl)-3-[1-(p-tolylsulfonyl)-4-piperidyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methylphenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(p-tolyl)-3-(1-tosyl-4-piperidyl)-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H24N4O2S2/c1-15-3-7-18(8-4-15)25-20(22-23-21(25)28)17-11-13-24(14-12-17)29(26,27)19-9-5-16(2)6-10-19/h3-10,17H,11-14H2,1-2H3,(H,23,28)