(3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine

Systemtic Name: (3S)-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-1-methylsulfonyl-piperidine Openeye Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methylsulfonyl-piperidine CAS Name: (3S)-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine IUPAC Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methylsulfonylpiperidine Traditional Name: (3S)-3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-1-mesyl-piperidine Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C16H22N4O2S2/c1-19-15(14-9-6-10-20(11-14)24(2,21)22)17-18-16(19)23-12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m0/s1