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

Systemtic Name: ethyl 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-(4-methylsulfonylphenyl)-4-(4-pyridyl)pyrazole-3-carboxylate CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-methylsulfonylphenyl)-4-pyridin-4-ylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-2-methyl-4-(4-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C19H19N3O4S/c1-4-26-19(23)18-16(13-9-11-20-12-10-13)17(21-22(18)2)14-5-7-15(8-6-14)27(3,24)25/h5-12H,4H2,1-3H3