(1R,2R)-N-(cyanomethyl)-2-[(3,4-dichlorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dichlorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dichlorophenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(3,4-dichlorophenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(3,4-dichlorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(3,4-dichlorophenyl)thio]methyl]cyclohexanecarboxamide Formula: C16H18Cl2N2OS MolecularWeight: 357.29792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N2OS/c17-14-6-5-12(9-15(14)18)22-10-11-3-1-2-4-13(11)16(21)20-8-7-19/h5-6,9,11,13H,1-4,8,10H2,(H,20,21)/t11-,13+/m0/s1