N-(3-chloranyl-4-methyl-phenyl)-3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(3-cyano-6-methyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-methyl-2-pyridyl)thio]propionamide Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3OS/c1-11-3-6-14(9-15(11)18)21-16(22)7-8-23-17-13(10-19)5-4-12(2)20-17/h3-6,9H,7-8H2,1-2H3,(H,21,22)