ethyl 5-methyl-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N2O2S/c1-3-21-17(20)15-12(2)19(13-8-5-4-6-9-13)18-16(15)14-10-7-11-22-14/h4-11H,3H2,1-2H3