benzenesulfonic acid; 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-4-amine

Systemtic Name: benzenesulfonic acid; 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-4-amine Openeye Name: benzenesulfonic acid; 6-(8-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyridazin-4-amine CAS Name: benzenesulfonic acid; 6-(8-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-4-pyridazinamine IUPAC Name: benzenesulfonic acid; 6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-4-amine Traditional Name: besylic acid; [6-(8-quinolyl)pyridazin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C26H19F3N4O3S MolecularWeight: 524.51427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C(=C1)C3=NN=CC(=C3)NC4=CC=C(C=C4)C(F)(F)F)N=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C(=C1)C3=NN=CC(=C3)NC4=CC=C(C=C4)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C20H13F3N4.C6H6O3S/c21-20(22,23)14-6-8-15(9-7-14)26-16-11-18(27-25-12-16)17-5-1-3-13-4-2-10-24-19(13)17;7-10(8,9)6-4-2-1-3-5-6/h1-12H,(H,26,27);1-5H,(H,7,8,9)