[4-(thiophen-2-ylcarbonylamino)phenyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H18N4O3S/c31-25(23-9-5-15-34-23)28-19-10-12-21(13-11-19)33-26(32)22-17-30(20-7-2-1-3-8-20)29-24(22)18-6-4-14-27-16-18/h1-17H,(H,28,31)