5-methylidene-3-(4-methylphenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione

Systemtic Name: 5-methylidene-3-(4-methylphenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Openeye Name: 5-methylene-3-(p-tolyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione CAS Name: 2-mercapto-5-methylene-3-(4-methylphenyl)-1H-pyrimidin-3-ium-4,6-dione IUPAC Name: 5-methylidene-3-(4-methylphenyl)-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Traditional Name: 2-mercapto-5-methylene-3-(p-tolyl)-1H-pyrimidin-3-ium-4,6-quinone Formula: C12H11N2O2S+ MolecularWeight: 247.29294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(NC(=O)C(=C)C2=O)S

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(NC(=O)C(=C)C2=O)S

InChI

InChI=1S/C12H10N2O2S/c1-7-3-5-9(6-4-7)14-11(16)8(2)10(15)13-12(14)17/h3-6H,2H2,1H3,(H,13,15,17)/p+1