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

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(3-hydroxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(3-hydroxyphenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(3-hydroxyphenyl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(3-hydroxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(3-hydroxyphenyl)thio]methyl]cyclohexanecarboxamide Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c17-8-9-18-16(20)15-7-2-1-4-12(15)11-21-14-6-3-5-13(19)10-14/h3,5-6,10,12,15,19H,1-2,4,7,9,11H2,(H,18,20)/t12-,15+/m0/s1