3-(5-bromanylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-2-(3,4-dimethoxyphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-bromo-2-thienyl)-2-(3,4-dimethoxyphenyl)-3-oxo-propanenitrile CAS Name: 3-(5-bromo-2-thiophenyl)-2-(3,4-dimethoxyphenyl)-3-oxopropanenitrile IUPAC Name: 3-(5-bromothiophen-2-yl)-2-(3,4-dimethoxyphenyl)-3-oxopropanenitrile Traditional Name: 3-(5-bromo-2-thienyl)-2-(3,4-dimethoxyphenyl)-3-keto-propionitrile Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO3S/c1-19-11-4-3-9(7-12(11)20-2)10(8-17)15(18)13-5-6-14(16)21-13/h3-7,10H,1-2H3