4-(2-methylsulfanyl-5-nitro-phenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methylsulfanyl-5-nitro-phenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methylsulfanyl-5-nitro-phenyl)pyrimidine-5-carboxylic acid CAS Name: 4-[2-(methylthio)-5-nitrophenyl]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methylsulfanyl-5-nitrophenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-[2-(methylthio)-5-nitro-phenyl]pyrimidine-5-carboxylic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC=NC=C2C(=O)O

Isomeric SMILES

CSC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC=NC=C2C(=O)O

InChI

InChI=1S/C12H9N3O4S/c1-20-10-3-2-7(15(18)19)4-8(10)11-9(12(16)17)5-13-6-14-11/h2-6H,1H3,(H,16,17)