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

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-tosyl-acrylonitrile Formula: C18H16BrNO4S MolecularWeight: 422.29294

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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)C)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO4S/c1-3-24-17-10-13(9-16(19)18(17)21)8-15(11-20)25(22,23)14-6-4-12(2)5-7-14/h4-10,21H,3H2,1-2H3