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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=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=C(C(=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)19-8-10-20(11-9-19)25-21(14-28)26(30)32-27(22(25)15-29)34-13-12-24(33)31-23-7-5-6-17(3)18(23)4/h5-11,16H,12-13H2,1-4H3,(H2,30,32)(H,31,33)