[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C21H14N6O2S MolecularWeight: 414.43986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C21H14N6O2S/c28-21(29-17-10-8-15(9-11-17)26-14-22-24-25-26)19-13-18(20-7-4-12-30-20)23-27(19)16-5-2-1-3-6-16/h1-14H