2-(1,3-benzodioxol-5-yl)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thienyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thiophenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromothiophen-2-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-thienyl)-3-keto-propionitrile Formula: C14H8BrNO3S MolecularWeight: 350.18722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C#N)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C14H8BrNO3S/c15-13-4-3-12(20-13)14(17)9(6-16)8-1-2-10-11(5-8)19-7-18-10/h1-5,9H,7H2