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

Systemtic Name: 1-(4-chlorophenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-4-olate Openeye Name: 2-benzylsulfanyl-1-(4-chlorophenyl)-6-oxo-hexahydropyrimidin-4-olate CAS Name: 1-(4-chlorophenyl)-6-oxo-2-(phenylmethylthio)-1,3-diazinan-4-olate IUPAC Name: 2-benzylsulfanyl-1-(4-chlorophenyl)-6-oxo-1,3-diazinan-4-olate Traditional Name: 2-(benzylthio)-1-(4-chlorophenyl)-6-keto-hexahydropyrimidin-4-olate Formula: C17H16ClN2O2S- MolecularWeight: 347.83914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN2O2S/c18-13-6-8-14(9-7-13)20-16(22)10-15(21)19-17(20)23-11-12-4-2-1-3-5-12/h1-9,15,17,19H,10-11H2/q-1