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

Systemtic Name: 2-[(E)-2-[4-(4-methylphenyl)sulfanylphenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(p-tolylsulfanyl)phenyl]vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-[4-[(4-methylphenyl)thio]phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-[4-(4-methylphenyl)sulfanylphenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-[4-(p-tolylthio)phenyl]vinyl]-1H-pyrimidin-6-one Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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