(1R,2R)-N-(cyanomethyl)-2-(1H-imidazol-2-ylsulfanylmethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-(1H-imidazol-2-ylsulfanylmethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-(1H-imidazol-2-ylsulfanylmethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[(1H-imidazol-2-ylthio)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-(1H-imidazol-2-ylsulfanylmethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[(1H-imidazol-2-ylthio)methyl]cyclohexanecarboxamide Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=NC=CN2)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=NC=CN2)C(=O)NCC#N

InChI

InChI=1S/C13H18N4OS/c14-5-6-15-12(18)11-4-2-1-3-10(11)9-19-13-16-7-8-17-13/h7-8,10-11H,1-4,6,9H2,(H,15,18)(H,16,17)/t10-,11+/m0/s1