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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionamide Formula: C18H18ClN3OS MolecularWeight: 359.87302

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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)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3OS/c1-11-4-5-14(9-16(11)19)22-17(23)6-7-24-18-15(10-20)12(2)8-13(3)21-18/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)