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

Systemtic Name: N-(4-butoxyphenyl)-2-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[(3-cyano-6-isopropyl-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)C(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-5-12-26-18-9-7-17(8-10-18)23-20(25)14-27-21-16(13-22)6-11-19(24-21)15(2)3/h6-11,15H,4-5,12,14H2,1-3H3,(H,23,25)