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

Systemtic Name: 4-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-methylsulfonyl-4-piperidyl)-4-[1-(p-tolylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]-3-(1-methylsulfonyl-4-piperidinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-mesyl-4-piperidyl)-4-[1-(4-methylbenzyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Formula: C19H24N6O2S2 MolecularWeight: 432.56286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)N3C(=NNC3=S)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C19H24N6O2S2/c1-14-3-5-15(6-4-14)12-23-13-17(11-20-23)25-18(21-22-19(25)28)16-7-9-24(10-8-16)29(2,26)27/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,28)