6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-methylsulfanylphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-(methylthio)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-[4-(methylthio)phenyl]vinyl]-5-nitro-1H-pyrimidin-2-olate Formula: C13H10N3O4S- MolecularWeight: 304.3012

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c1-21-9-5-2-8(3-6-9)4-7-10-11(16(19)20)12(17)15-13(18)14-10/h2-7H,1H3,(H2,14,15,17,18)/p-1/b7-4+