2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-cyclohexyl-N-phenyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-cyclohexyl-N-phenyl-ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-cyclohexyl-N-phenyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-cyclohexyl-N-phenylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-cyclohexyl-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C21H21N5OS/c22-12-15-11-16(13-23)21(25-20(15)24)28-14-19(27)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-8,11,18H,2,5-6,9-10,14H2,(H2,24,25)