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

Systemtic Name: 3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C19H18BrNO4S/c1-4-25-19-17(20)10-14(11-18(19)24-3)9-16(12-21)26(22,23)15-7-5-13(2)6-8-15/h5-11H,4H2,1-3H3