7-bromanyl-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanyl-heptanenitrile

Systemtic Name: 7-bromanyl-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanyl-heptanenitrile Openeye Name: 7-bromo-2-(3,4-dimethoxyphenyl)-2-(2-pyridylsulfanyl)heptanenitrile CAS Name: 7-bromo-2-(3,4-dimethoxyphenyl)-2-(2-pyridinylthio)heptanenitrile IUPAC Name: 7-bromo-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylheptanenitrile Traditional Name: 7-bromo-2-(3,4-dimethoxyphenyl)-2-(2-pyridylthio)enanthonitrile Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCBr)(C#N)SC2=CC=CC=N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCBr)(C#N)SC2=CC=CC=N2)OC

InChI

InChI=1S/C20H23BrN2O2S/c1-24-17-10-9-16(14-18(17)25-2)20(15-22,11-5-3-6-12-21)26-19-8-4-7-13-23-19/h4,7-10,13-14H,3,5-6,11-12H2,1-2H3