3-(3-bromanyl-4-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-bromo-4-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-bromo-4-methoxy-phenyl)acrylonitrile Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO3S/c1-21-16-8-7-12(10-15(16)17)9-14(11-18)22(19,20)13-5-3-2-4-6-13/h2-10H,1H3