1-(3,4-dimethylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: 1-(3,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolecarboxylate IUPAC Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxylate Formula: C16H13N2O2S- MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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