(Z)-2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-[(4-fluorophenyl)-methyl-amino]-3-methylsulfanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-[(4-fluorophenyl)-methyl-amino]-3-methylsulfanyl-prop-2-enenitrile Openeye Name: (Z)-2-(2-bromo-4,5-dimethoxy-phenyl)-3-(4-fluoro-N-methyl-anilino)-3-methylsulfanyl-prop-2-enenitrile CAS Name: (Z)-2-(2-bromo-4,5-dimethoxyphenyl)-3-(4-fluoro-N-methylanilino)-3-(methylthio)-2-propenenitrile IUPAC Name: (Z)-2-(2-bromo-4,5-dimethoxyphenyl)-3-(4-fluoro-N-methylanilino)-3-methylsulfanylprop-2-enenitrile Traditional Name: (Z)-2-(2-bromo-4,5-dimethoxy-phenyl)-3-(4-fluoro-N-methyl-anilino)-3-(methylthio)acrylonitrile Formula: C19H18BrFN2O2S MolecularWeight: 437.325823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)F)C(=C(C#N)C2=CC(=C(C=C2Br)OC)OC)SC

Isomeric SMILES

CN(C1=CC=C(C=C1)F)/C(=C(/C#N)\C2=CC(=C(C=C2Br)OC)OC)/SC

InChI

InChI=1S/C19H18BrFN2O2S/c1-23(13-7-5-12(21)6-8-13)19(26-4)15(11-22)14-9-17(24-2)18(25-3)10-16(14)20/h5-10H,1-4H3/b19-15+