(1R,2R)-N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(phenylthio)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(phenylthio)methyl]cyclohexanecarboxamide Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS/c17-10-11-18-16(19)15-9-5-4-6-13(15)12-20-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9,11-12H2,(H,18,19)/t13-,15+/m0/s1