N-(4-butoxyphenyl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-propyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-(3-cyano-6-propylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-propyl-2-pyridyl)thio]acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)CCC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=C(C=CC(=N2)CCC)C#N

InChI

InChI=1S/C21H25N3O2S/c1-3-5-13-26-19-11-9-18(10-12-19)23-20(25)15-27-21-16(14-22)7-8-17(24-21)6-4-2/h7-12H,3-6,13,15H2,1-2H3,(H,23,25)