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

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[[4-(methylthio)phenyl]thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[[4-(methylthio)phenyl]thio]methyl]cyclohexanecarboxamide Formula: C17H22N2OS2 MolecularWeight: 334.49938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SCC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)SC[C@@H]2CCCC[C@H]2C(=O)NCC#N

InChI

InChI=1S/C17H22N2OS2/c1-21-14-6-8-15(9-7-14)22-12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,11-12H2,1H3,(H,19,20)/t13-,16+/m0/s1