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

Systemtic Name: (1R,2R)-2-[(4-aminophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-[(4-aminophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[[(4-aminophenyl)thio]methyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-[(4-aminophenyl)sulfanylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[[(4-aminophenyl)thio]methyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c17-9-10-19-16(20)15-4-2-1-3-12(15)11-21-14-7-5-13(18)6-8-14/h5-8,12,15H,1-4,10-11,18H2,(H,19,20)/t12-,15+/m0/s1