3-(3-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-(3-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-(m-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-(3-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-(3-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-3-(m-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C11H9N2O2S- MolecularWeight: 233.26636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=O)NC2=S)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=O)NC2=S)[O-]

InChI

InChI=1S/C11H10N2O2S/c1-7-3-2-4-8(5-7)13-10(15)6-9(14)12-11(13)16/h2-6,15H,1H3,(H,12,14,16)/p-1