N-[2,5-bis(chloranyl)phenyl]-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide CAS Name: 3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-N-(2,5-dichlorophenyl)propanamide IUPAC Name: 3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide Traditional Name: 3-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-N-(2,5-dichlorophenyl)propionamide Formula: C27H19Cl2N3OS MolecularWeight: 504.43026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H19Cl2N3OS/c28-20-11-12-23(29)25(15-20)31-26(33)13-14-34-27-22(17-30)21(18-7-3-1-4-8-18)16-24(32-27)19-9-5-2-6-10-19/h1-12,15-16H,13-14H2,(H,31,33)