2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-cyclohexyl-acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-32-22-14-12-19(13-15-22)23-16-25(20-8-4-2-5-9-20)30-27(24(23)17-28)33-18-26(31)29-21-10-6-3-7-11-21/h2,4-5,8-9,12-16,21H,3,6-7,10-11,18H2,1H3,(H,29,31)