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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-propyl-2-pyridyl)thio]propionamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-3-4-15-8-6-14(12-21)19(23-15)25-10-9-18(24)22-16-7-5-13(2)17(20)11-16/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,24)