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

Systemtic Name: N-(2-bromophenyl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-bromophenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-bromophenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-bromophenyl)-3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]propionamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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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=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C22H18BrN3O2S/c1-28-17-9-6-15(7-10-17)19-11-8-16(14-24)22(26-19)29-13-12-21(27)25-20-5-3-2-4-18(20)23/h2-11H,12-13H2,1H3,(H,25,27)