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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(4-bromophenyl)methylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 2-[(4-bromobenzyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C17H12BrN2OS- MolecularWeight: 372.25898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C17H13BrN2OS/c18-14-8-6-12(7-9-14)11-22-17-19-15(10-16(21)20-17)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,20,21)/p-1