(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C19H17BrFNO4S MolecularWeight: 454.309983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)F)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)F)Br)OCC

InChI

InChI=1S/C19H17BrFNO4S/c1-3-25-18-11-13(10-17(20)19(18)26-4-2)9-16(12-22)27(23,24)15-7-5-14(21)6-8-15/h5-11H,3-4H2,1-2H3/b16-9+