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

Systemtic Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]-N-cyclohexyl-acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-33-22-12-8-19(9-13-22)24-16-26(20-10-14-23(34-2)15-11-20)31-28(25(24)17-29)35-18-27(32)30-21-6-4-3-5-7-21/h8-16,21H,3-7,18H2,1-2H3,(H,30,32)