2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-pyrazole-3-carboxylate

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-3-pyrazolecarboxylate IUPAC Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-2-methyl-4-(4-pyridyl)pyrazole-3-carboxylate Formula: C17H14N3O4S- MolecularWeight: 356.37576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-20-16(17(21)22)14(11-7-9-18-10-8-11)15(19-20)12-3-5-13(6-4-12)25(2,23)24/h3-10H,1-2H3,(H,21,22)/p-1