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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C24H21N5OS MolecularWeight: 427.52144

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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=CC=C3)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5OS/c1-15-10-16(2)12-18(11-15)28-21(30)8-9-31-24-20(14-26)22(17-6-4-3-5-7-17)19(13-25)23(27)29-24/h3-7,10-12H,8-9H2,1-2H3,(H2,27,29)(H,28,30)