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

Systemtic Name: 3-(4-methylphenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 3-(4-methylphenyl)-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C18H15N2O2S- MolecularWeight: 323.3889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N2O2S/c1-13-7-9-15(10-8-13)20-17(22)11-16(21)19-18(20)23-12-14-5-3-2-4-6-14/h2-11,22H,12H2,1H3/p-1