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

Systemtic Name: 6-[(E)-2-[4-(4-methylphenyl)sulfanylphenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-nitro-4-oxo-6-[(E)-2-[4-(p-tolylsulfanyl)phenyl]vinyl]-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-[(4-methylphenyl)thio]phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-(4-methylphenyl)sulfanylphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-5-nitro-6-[(E)-2-[4-(p-tolylthio)phenyl]vinyl]-1H-pyrimidin-2-olate Formula: C19H14N3O4S- MolecularWeight: 380.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-12-2-7-14(8-3-12)27-15-9-4-13(5-10-15)6-11-16-17(22(25)26)18(23)21-19(24)20-16/h2-11H,1H3,(H2,20,21,23,24)/p-1/b11-6+