2-methylsulfanyl-5-(4-nitrophenyl)sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-methylsulfanyl-5-(4-nitrophenyl)sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 2-methylsulfanyl-5-(4-nitrophenyl)sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 2-(methylthio)-5-[(4-nitrophenyl)thio]-4-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-5-(4-nitrophenyl)sulfanylpyrimidine-4-carboxylic acid Traditional Name: 2-(methylthio)-5-[(4-nitrophenyl)thio]pyrimidine-4-carboxylic acid Formula: C12H9N3O4S2 MolecularWeight: 323.34756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S2/c1-20-12-13-6-9(10(14-12)11(16)17)21-8-4-2-7(3-5-8)15(18)19/h2-6H,1H3,(H,16,17)