N-(3-chlorophenyl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-2-[(3-cyano-6-isobutyl-2-pyridyl)thio]acetamide Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-12(2)8-16-7-6-13(10-20)18(22-16)24-11-17(23)21-15-5-3-4-14(19)9-15/h3-7,9,12H,8,11H2,1-2H3,(H,21,23)