1-(3-methylphenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-4-olate

Systemtic Name: 1-(3-methylphenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-4-olate Openeye Name: 2-benzylsulfanyl-1-(m-tolyl)-6-oxo-hexahydropyrimidin-4-olate CAS Name: 1-(3-methylphenyl)-6-oxo-2-(phenylmethylthio)-1,3-diazinan-4-olate IUPAC Name: 2-benzylsulfanyl-1-(3-methylphenyl)-6-oxo-1,3-diazinan-4-olate Traditional Name: 2-(benzylthio)-6-keto-1-(m-tolyl)hexahydropyrimidin-4-olate Formula: C18H19N2O2S- MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC(CC2=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC(CC2=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H19N2O2S/c1-13-6-5-9-15(10-13)20-17(22)11-16(21)19-18(20)23-12-14-7-3-2-4-8-14/h2-10,16,18-19H,11-12H2,1H3/q-1