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

Systemtic Name: (1R,2R)-2-[(3-bromophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-[(3-bromophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[[(3-bromophenyl)thio]methyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-[(3-bromophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[[(3-bromophenyl)thio]methyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C16H19BrN2OS MolecularWeight: 367.30386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2OS/c17-13-5-3-6-14(10-13)21-11-12-4-1-2-7-15(12)16(20)19-9-8-18/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,19,20)/t12-,15+/m0/s1