5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid

Systemtic Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid Openeye Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid CAS Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-quinazolinyl]-2-thiophenesulfonic acid IUPAC Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-2-sulfonic acid Traditional Name: 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]thiophene-2-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=C(S5)S(=O)(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C3=CC4=C(C=C3)N=CN=C4C5=CC=C(S5)S(=O)(=O)O)F

InChI

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