2-[4-[(E)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(5-bromo-2-thienyl)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(5-bromo-2-thiophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(5-bromothiophen-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(5-bromo-2-thienyl)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(S2)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(S2)Br)OCC#N

InChI

InChI=1S/C16H12BrNO3S/c1-20-14-10-11(3-5-13(14)21-9-8-18)2-4-12(19)15-6-7-16(17)22-15/h2-7,10H,9H2,1H3/b4-2+