1-azanyl-5-methyl-3-(2-methylsulfanylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-azanyl-5-methyl-3-(2-methylsulfanylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-amino-5-methyl-3-(2-methylsulfanylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-amino-5-methyl-3-[2-(methylthio)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-amino-5-methyl-3-(2-methylsulfanylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-amino-5-methyl-3-[2-(methylthio)phenyl]pyrazole-4-carboxylic acid Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1N)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1N)C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C12H13N3O2S/c1-7-10(12(16)17)11(14-15(7)13)8-5-3-4-6-9(8)18-2/h3-6H,13H2,1-2H3,(H,16,17)