2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C17H21N5OS/c1-10-4-3-5-14(11(10)2)21-15(23)9-24-17-13(8-19)6-12(7-18)16(20)22-17/h6,10-11,14H,3-5,9H2,1-2H3,(H2,20,22)(H,21,23)/t10-,11+,14+/m0/s1