2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]thio]-N-phenethyl-acetamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2S/c1-28-20-9-5-8-18(14-20)21-11-10-19(15-24)23(26-21)29-16-22(27)25-13-12-17-6-3-2-4-7-17/h2-11,14H,12-13,16H2,1H3,(H,25,27)