(1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-(4-pyridylsulfanylmethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(pyridin-4-ylthio)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-(pyridin-4-ylsulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(4-pyridylthio)methyl]cyclohexanecarboxamide Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=CC=NC=C2)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=CC=NC=C2)C(=O)NCC#N

InChI

InChI=1S/C15H19N3OS/c16-7-10-18-15(19)14-4-2-1-3-12(14)11-20-13-5-8-17-9-6-13/h5-6,8-9,12,14H,1-4,10-11H2,(H,18,19)/t12-,14+/m0/s1