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

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(2,5-dichlorophenyl)propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(2,5-dichlorophenyl)propionamide Formula: C21H15Cl2N3OS MolecularWeight: 428.3343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2N3OS/c22-16-7-8-17(23)19(12-16)25-20(27)10-11-28-21-15(13-24)6-9-18(26-21)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,25,27)