potassium 1-(4-chlorophenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: potassium 1-(4-chlorophenyl)-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: potassium 2-benzylsulfanyl-1-(4-chlorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: potassium 1-(4-chlorophenyl)-6-oxo-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: potassium 2-benzylsulfanyl-1-(4-chlorophenyl)-6-oxopyrimidin-4-olate Traditional Name: potassium 2-(benzylthio)-1-(4-chlorophenyl)-6-keto-pyrimidin-4-olate Formula: C17H12ClKN2O2S MolecularWeight: 382.90568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O2S.K/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;/h1-10,21H,11H2;/q;+1/p-1