ethyl 1-(4-nitrophenyl)-5-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-5-phenyl-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-5-phenyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(4-nitrophenyl)-5-phenyl-3-thiophen-2-yl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-5-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-(4-nitrophenyl)-5-phenyl-3-(2-thienyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-2-29-22(26)19-20(18-9-6-14-30-18)23-24(21(19)15-7-4-3-5-8-15)16-10-12-17(13-11-16)25(27)28/h3-14H,2H2,1H3