(1R,6R)-N-(cyanomethyl)-6-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1R,6R)-N-(cyanomethyl)-6-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1R,6R)-N-(cyanomethyl)-6-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohex-3-ene-1-carboxamide CAS Name: (1R,6R)-N-(cyanomethyl)-6-[[[4-(methylthio)phenyl]thio]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1R,6R)-N-(cyanomethyl)-6-[(4-methylsulfanylphenyl)sulfanylmethyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1R,6R)-N-(cyanomethyl)-6-[[[4-(methylthio)phenyl]thio]methyl]cyclohex-3-ene-1-carboxamide Formula: C17H20N2OS2 MolecularWeight: 332.4835

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SCC2CC=CCC2C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS2/c1-21-14-6-8-15(9-7-14)22-12-13-4-2-3-5-16(13)17(20)19-11-10-18/h2-3,6-9,13,16H,4-5,11-12H2,1H3,(H,19,20)/t13-,16+/m0/s1