2-(cyanomethylsulfanyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 2-(cyanomethylsulfanyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-(cyanomethylsulfanyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-(cyanomethylthio)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-(cyanomethylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-olate Traditional Name: 2-(cyanomethylthio)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-olate Formula: C12H6N3OS3- MolecularWeight: 304.39054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CSC3=NC(=NC(=C23)[O-])SCC#N

Isomeric SMILES

C1=CSC(=C1)C2=CSC3=NC(=NC(=C23)[O-])SCC#N

InChI

InChI=1S/C12H7N3OS3/c13-3-5-18-12-14-10(16)9-7(6-19-11(9)15-12)8-2-1-4-17-8/h1-2,4,6H,5H2,(H,14,15,16)/p-1