2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N,N-diphenyl-butanamide

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N,N-diphenyl-butanamide Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N,N-diphenyl-butanamide CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N,N-diphenylbutanamide IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N,N-diphenylbutanamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N,N-diphenyl-butyramide Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=C(C=CC(=N3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C29H25N3O2S/c1-3-27(29(33)32(23-10-6-4-7-11-23)24-12-8-5-9-13-24)35-28-22(20-30)16-19-26(31-28)21-14-17-25(34-2)18-15-21/h4-19,27H,3H2,1-2H3