3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H23N3O3S/c1-33-23-12-7-20(8-13-23)26-16-9-21(19-29)28(31-26)35-18-17-27(32)30-22-10-14-25(15-11-22)34-24-5-3-2-4-6-24/h2-16H,17-18H2,1H3,(H,30,32)