2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-thiophen-2-yl-pyrimidin-4-olate

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-thiophen-2-yl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-6-(2-thienyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-6-thiophen-2-yl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-6-thiophen-2-ylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-6-(2-thienyl)pyrimidin-4-olate Formula: C17H9BrN3O2S2- MolecularWeight: 431.30626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br)[O-])C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)Br)[O-])C#N

InChI

InChI=1S/C17H10BrN3O2S2/c18-11-5-3-10(4-6-11)13(22)9-25-17-20-15(14-2-1-7-24-14)12(8-19)16(23)21-17/h1-7H,9H2,(H,20,21,23)/p-1