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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N)C

InChI

InChI=1S/C27H27N5OS/c1-16(2)19-5-7-20(8-6-19)25-22(14-28)26(30)32-27(23(25)15-29)34-10-9-24(33)31-21-12-17(3)11-18(4)13-21/h5-8,11-13,16H,9-10H2,1-4H3,(H2,30,32)(H,31,33)