1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 1-(6-methoxy-3-pyridyl)-5-(4-methylsulfanyl-2-pyridyl)pyrazole-3-carboxylic acid CAS Name: 1-(6-methoxy-3-pyridinyl)-5-[4-(methylthio)-2-pyridinyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(6-methoxypyridin-3-yl)-5-(4-methylsulfanylpyridin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 1-(6-methoxy-3-pyridyl)-5-[4-(methylthio)-2-pyridyl]pyrazole-3-carboxylic acid Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=NC=CC(=C3)SC

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=NC=CC(=C3)SC

InChI

InChI=1S/C16H14N4O3S/c1-23-15-4-3-10(9-18-15)20-14(8-13(19-20)16(21)22)12-7-11(24-2)5-6-17-12/h3-9H,1-2H3,(H,21,22)