5-methyl-3-[(2-methylsulfanylphenyl)amino]-1H-pyrazole-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NC2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)NC2=CC=CC=C2SC)C(=O)O

InChI

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