N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(2-pyridylthio)acetamide Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CSC2=CC=CC=N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CSC2=CC=CC=N2)Br)OC

InChI

InChI=1S/C17H19BrN2O3S/c1-22-14-9-12(13(18)10-15(14)23-2)6-8-19-16(21)11-24-17-5-3-4-7-20-17/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,19,21)