3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C17H13BrFNO4S MolecularWeight: 426.256823

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFNO4S/c1-2-24-16-9-11(8-15(18)17(16)21)7-14(10-20)25(22,23)13-5-3-12(19)4-6-13/h3-9,21H,2H2,1H3