5-(4-methylphenyl)sulfonyl-2-phenyl-pyrimidin-4-olate

Systemtic Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-pyrimidin-4-olate Openeye Name: 2-phenyl-5-(p-tolylsulfonyl)pyrimidin-4-olate CAS Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-pyrimidinolate IUPAC Name: 5-(4-methylphenyl)sulfonyl-2-phenylpyrimidin-4-olate Traditional Name: 2-phenyl-5-tosyl-pyrimidin-4-olate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3S/c1-12-7-9-14(10-8-12)23(21,22)15-11-18-16(19-17(15)20)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)/p-1