2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]-N-phenethyl-acetamide Formula: C30H27N3O3S MolecularWeight: 509.61868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H27N3O3S/c1-35-24-12-8-22(9-13-24)26-18-28(23-10-14-25(36-2)15-11-23)33-30(27(26)19-31)37-20-29(34)32-17-16-21-6-4-3-5-7-21/h3-15,18H,16-17,20H2,1-2H3,(H,32,34)