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

Systemtic Name: 3-(4-chlorophenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-3-(4-chlorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 3-(4-chlorophenyl)-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-3-(4-chlorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-(benzylthio)-3-(4-chlorophenyl)-6-keto-pyrimidin-4-olate Formula: C17H12ClN2O2S- MolecularWeight: 343.80738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C17H13ClN2O2S/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/h1-10,22H,11H2/p-1