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

Systemtic Name: 3-(1-methylsulfonylpiperidin-4-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(1-methylsulfonyl-4-piperidyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-methylsulfonyl-4-piperidinyl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(1-mesyl-4-piperidyl)-1H-1,2,4-triazole-5-thione Formula: C18H22N6O2S2 MolecularWeight: 418.53628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O2S2/c1-28(25,26)23-9-7-15(8-10-23)17-20-21-18(27)24(17)16-11-19-22(13-16)12-14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3,(H,21,27)