5-azanyl-3-methylsulfanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 5-amino-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid CAS Name: 5-amino-3-(methylthio)-1-(2,4,6-trichlorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-3-methylsulfanyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid Traditional Name: 5-amino-3-(methylthio)-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylic acid Formula: C11H8Cl3N3O2S MolecularWeight: 352.62412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C(=O)O)N)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CSC1=NN(C(=C1C(=O)O)N)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C11H8Cl3N3O2S/c1-20-10-7(11(18)19)9(15)17(16-10)8-5(13)2-4(12)3-6(8)14/h2-3H,15H2,1H3,(H,18,19)