6-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-[(N-methylanilino)-oxomethyl]-4-(3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-[methyl(phenyl)carbamoyl]-4-(3-nitrophenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=C(C(=NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=C(C(=NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H14N4O5S/c1-22(12-7-3-2-4-8-12)17(24)16-14(18(25)26)15(20-19(29)21-16)11-6-5-9-13(10-11)23(27)28/h2-10H,1H3,(H,25,26)(H,20,21,29)