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

Systemtic Name: (E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C17H13BrFNO4S MolecularWeight: 426.256823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)F)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)F)Br)OC

InChI

InChI=1S/C17H13BrFNO4S/c1-23-16-9-11(8-15(18)17(16)24-2)7-14(10-20)25(21,22)13-5-3-12(19)4-6-13/h3-9H,1-2H3/b14-7+