4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[2-(5-bromo-2-thienyl)-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[2-(5-bromo-2-thiophenyl)-2-oxoethoxy]-3-chlorobenzonitrile IUPAC Name: 4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-(5-bromo-2-thienyl)-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C13H7BrClNO2S MolecularWeight: 356.62218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H7BrClNO2S/c14-13-4-3-12(19-13)10(17)7-18-11-2-1-8(6-16)5-9(11)15/h1-5H,7H2