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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-naphthalen-2-yl-propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(2-naphthyl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(2-naphthalenyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-naphthalen-2-ylpropanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(2-naphthyl)propionamide Formula: C28H23N5OS MolecularWeight: 477.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC4=CC=CC=C4C=C3)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC4=CC=CC=C4C=C3)N)C#N

InChI

InChI=1S/C28H23N5OS/c1-2-18-7-9-20(10-8-18)26-23(16-29)27(31)33-28(24(26)17-30)35-14-13-25(34)32-22-12-11-19-5-3-4-6-21(19)15-22/h3-12,15H,2,13-14H2,1H3,(H2,31,33)(H,32,34)