6-(3-cyanophenyl)-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(3-cyanophenyl)-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(3-cyanophenyl)-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(3-cyanophenyl)-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(3-cyanophenyl)-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-(3-cyanophenyl)-2-(methylthio)pyrimidin-4-olate Formula: C12H8N3OS- MolecularWeight: 242.27642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)[O-])C2=CC=CC(=C2)C#N

Isomeric SMILES

CSC1=NC(=CC(=N1)[O-])C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H9N3OS/c1-17-12-14-10(6-11(16)15-12)9-4-2-3-8(5-9)7-13/h2-6H,1H3,(H,14,15,16)/p-1