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

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-hydroxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-hydroxyphenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-hydroxyphenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-hydroxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-hydroxyphenyl)thio]methyl]cyclohexanecarboxamide Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c17-9-10-18-16(20)15-4-2-1-3-12(15)11-21-14-7-5-13(19)6-8-14/h5-8,12,15,19H,1-4,10-11H2,(H,18,20)/t12-,15+/m0/s1