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

Systemtic Name: 6-[(E)-2-[2-(4-chlorophenyl)sulfanylphenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[2-(4-chlorophenyl)sulfanylphenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[2-[(4-chlorophenyl)thio]phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[2-(4-chlorophenyl)sulfanylphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-[2-[(4-chlorophenyl)thio]phenyl]vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C18H11ClN3O4S- MolecularWeight: 400.81564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H12ClN3O4S/c19-12-6-8-13(9-7-12)27-15-4-2-1-3-11(15)5-10-14-16(22(25)26)17(23)21-18(24)20-14/h1-10H,(H2,20,21,23,24)/p-1/b10-5+