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

Systemtic Name: methyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: methyl 2-methyl-4-(4-methylsulfonylphenyl)-5-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-yl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 4-(4-mesylphenyl)-2-methyl-5-(4-pyridyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-21-17(18(22)25-2)15(16(20-21)13-8-10-19-11-9-13)12-4-6-14(7-5-12)26(3,23)24/h4-11H,1-3H3