(1R,2R)-N-(cyanomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-fluorophenyl)thio]methyl]-5-methyl-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-5-methylcyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(4-fluorophenyl)thio]methyl]-5-methyl-cyclohexanecarboxamide Formula: C17H21FN2OS MolecularWeight: 320.424843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)NCC#N)CSC2=CC=C(C=C2)F

Isomeric SMILES

CC1CC[C@H]([C@@H](C1)C(=O)NCC#N)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN2OS/c1-12-2-3-13(16(10-12)17(21)20-9-8-19)11-22-15-6-4-14(18)5-7-15/h4-7,12-13,16H,2-3,9-11H2,1H3,(H,20,21)/t12?,13-,16+/m0/s1