2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C17H11ClFN2OS- MolecularWeight: 345.798443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=C(C=CC=C3Cl)F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=C(C=CC=C3Cl)F)[O-]

InChI

InChI=1S/C17H12ClFN2OS/c18-13-7-4-8-14(19)12(13)10-23-17-20-15(9-16(22)21-17)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22)/p-1