3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(3,4-dimethylphenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(3,4-dimethylphenyl)propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C(C)C)C#N)C

InChI

InChI=1S/C21H23N5OS/c1-12(2)19-16(10-22)20(24)26-21(17(19)11-23)28-8-7-18(27)25-15-6-5-13(3)14(4)9-15/h5-6,9,12H,7-8H2,1-4H3,(H2,24,26)(H,25,27)