3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(o-tolyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(o-tolyl)propionamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C)N)C#N

InChI

InChI=1S/C25H23N5OS/c1-3-17-8-10-18(11-9-17)23-19(14-26)24(28)30-25(20(23)15-27)32-13-12-22(31)29-21-7-5-4-6-16(21)2/h4-11H,3,12-13H2,1-2H3,(H2,28,30)(H,29,31)