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

Systemtic Name: 3-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3S)-1-methylsulfonyl-3-piperidyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3S)-1-methylsulfonyl-3-piperidinyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3S)-1-mesyl-3-piperidyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C2=NNC(=S)N2CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C2=NNC(=S)N2CCC3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2S2/c1-24(21,22)19-10-5-8-14(12-19)15-17-18-16(23)20(15)11-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,23)/t14-/m0/s1