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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C23H18ClN5OS MolecularWeight: 447.93992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN5OS/c1-14-7-8-16(11-19(14)24)28-20(30)9-10-31-23-18(13-26)21(15-5-3-2-4-6-15)17(12-25)22(27)29-23/h2-8,11H,9-10H2,1H3,(H2,27,29)(H,28,30)