2-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(4-benzoylphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(4-benzoylphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(4-benzoylphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(4-benzoylbenzyl)thio]pyrimidin-4-olate Formula: C18H13N2O2S- MolecularWeight: 321.37302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C18H14N2O2S/c21-16-10-11-19-18(20-16)23-12-13-6-8-15(9-7-13)17(22)14-4-2-1-3-5-14/h1-11H,12H2,(H,19,20,21)/p-1