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

Systemtic Name: N-(4-chlorophenyl)-2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-chlorophenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[[3-cyano-4,6-bis(4-methoxyphenyl)-2-pyridyl]thio]acetamide Formula: C28H22ClN3O3S MolecularWeight: 516.01058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H22ClN3O3S/c1-34-22-11-3-18(4-12-22)24-15-26(19-5-13-23(35-2)14-6-19)32-28(25(24)16-30)36-17-27(33)31-21-9-7-20(29)8-10-21/h3-15H,17H2,1-2H3,(H,31,33)