5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-3-sulfonic acid

Systemtic Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-3-sulfonic acid Openeye Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-3-sulfonic acid CAS Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-quinazolinyl]-3-thiophenesulfonic acid IUPAC Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-3-sulfonic acid Traditional Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-3-sulfonic acid Formula: C21H13FN4O3S2 MolecularWeight: 452.481323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4C5=CC(=CS5)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4C5=CC(=CS5)S(=O)(=O)O)F

InChI

InChI=1S/C21H13FN4O3S2/c22-14-4-1-12(2-5-14)20-17(9-25-26-20)13-3-6-18-16(7-13)21(24-11-23-18)19-8-15(10-30-19)31(27,28)29/h1-11H,(H,25,26)(H,27,28,29)