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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetamide Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16ClN3OS/c1-14-17(22)8-5-9-18(14)24-20(26)13-27-21-16(12-23)10-11-19(25-21)15-6-3-2-4-7-15/h2-11H,13H2,1H3,(H,24,26)