zinc 4-azanylidene-1-(4-methylphenyl)sulfonyl-pyrimidin-2-olate

Systemtic Name: zinc 4-azanylidene-1-(4-methylphenyl)sulfonyl-pyrimidin-2-olate Openeye Name: zinc 4-imino-1-(p-tolylsulfonyl)pyrimidin-2-olate CAS Name: zinc 4-imino-1-(4-methylphenyl)sulfonyl-2-pyrimidinolate IUPAC Name: zinc 4-imino-1-(4-methylphenyl)sulfonylpyrimidin-2-olate Traditional Name: zinc 4-imino-1-tosyl-pyrimidin-2-olate Formula: C22H20N6O6S2Zn MolecularWeight: 593.9698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N)N=C2[O-].CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N)N=C2[O-].[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N)N=C2[O-].CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N)N=C2[O-].[Zn+2]

InChI

InChI=1S/2C11H11N3O3S.Zn/c2*1-8-2-4-9(5-3-8)18(16,17)14-7-6-10(12)13-11(14)15;/h2*2-7H,1H3,(H2,12,13,15);/q;;+2/p-2