2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: 2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: 2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolecarboxylate IUPAC Name: 2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxylate Formula: C16H13N2O2S- MolecularWeight: 297.35162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O2S/c1-10-5-6-11(2)13(8-10)18-14(16(19)20)9-12(17-18)15-4-3-7-21-15/h3-9H,1-2H3,(H,19,20)/p-1