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

Systemtic Name: (3S)-N-cyclohexyl-3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide Openeye Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-cyclohexyl-piperidine-1-carboxamide CAS Name: (3S)-N-cyclohexyl-3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-N-cyclohexylpiperidine-1-carboxamide Traditional Name: (3S)-3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-N-cyclohexyl-piperidine-1-carboxamide Formula: C22H31N5OS MolecularWeight: 413.57944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN(C3)C(=O)NC4CCCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN(C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-26-20(24-25-22(26)29-16-17-9-4-2-5-10-17)18-11-8-14-27(15-18)21(28)23-19-12-6-3-7-13-19/h2,4-5,9-10,18-19H,3,6-8,11-16H2,1H3,(H,23,28)/t18-/m0/s1