4-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-methylsulfanylphenyl)-1-pyridin-4-yl-pyrazole-3-carboxylic acid Openeye Name: 4-(4-methylsulfanylphenyl)-1-(4-pyridyl)pyrazole-3-carboxylic acid CAS Name: 4-[4-(methylthio)phenyl]-1-pyridin-4-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-methylsulfanylphenyl)-1-pyridin-4-ylpyrazole-3-carboxylic acid Traditional Name: 4-[4-(methylthio)phenyl]-1-(4-pyridyl)pyrazole-3-carboxylic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CN(N=C2C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CN(N=C2C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O2S/c1-22-13-4-2-11(3-5-13)14-10-19(18-15(14)16(20)21)12-6-8-17-9-7-12/h2-10H,1H3,(H,20,21)