(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-mesyl-acrylonitrile Formula: C11H10BrNO3S MolecularWeight: 316.171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)C)Br

InChI

InChI=1S/C11H10BrNO3S/c1-16-11-4-3-8(6-10(11)12)5-9(7-13)17(2,14)15/h3-6H,1-2H3/b9-5+