4-(3-nitrophenyl)-6-(phenylcarbamoyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-6-(phenylcarbamoyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-nitrophenyl)-6-(phenylcarbamoyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-[anilino(oxo)methyl]-4-(3-nitrophenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-nitrophenyl)-6-(phenylcarbamoyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(3-nitrophenyl)-6-(phenylcarbamoyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O5S/c23-16(19-11-6-2-1-3-7-11)15-13(17(24)25)14(20-18(28)21-15)10-5-4-8-12(9-10)22(26)27/h1-9H,(H,19,23)(H,24,25)(H,20,21,28)