N-(3-chloranyl-2-methyl-phenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-6-phenyl-2-pyridyl)thio]propionamide Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H18ClN3OS/c1-15-18(23)8-5-9-19(15)25-21(27)12-13-28-22-17(14-24)10-11-20(26-22)16-6-3-2-4-7-16/h2-11H,12-13H2,1H3,(H,25,27)