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

Systemtic Name: 6-oxidanylidene-1-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-olate Openeye Name: 2-benzylsulfanyl-6-oxo-1-phenyl-hexahydropyrimidin-4-olate CAS Name: 6-oxo-1-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-olate IUPAC Name: 2-benzylsulfanyl-6-oxo-1-phenyl-1,3-diazinan-4-olate Traditional Name: 2-(benzylthio)-6-keto-1-phenyl-hexahydropyrimidin-4-olate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(N(C1=O)C2=CC=CC=C2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1C(NC(N(C1=O)C2=CC=CC=C2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H17N2O2S/c20-15-11-16(21)19(14-9-5-2-6-10-14)17(18-15)22-12-13-7-3-1-4-8-13/h1-10,15,17-18H,11-12H2/q-1