benzenesulfonic acid; 5-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine

Systemtic Name: benzenesulfonic acid; 5-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine Openeye Name: benzenesulfonic acid; 5-(7-quinolyl)-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine CAS Name: benzenesulfonic acid; 5-(7-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-3-pyridazinamine IUPAC Name: benzenesulfonic acid; 5-quinolin-7-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine Traditional Name: besylic acid; [5-(7-quinolyl)pyridazin-3-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=C(C=C2)C3=CC(=NN=C3)NC4=CC=C(C=C4)C(F)(F)F)N=C1

Isomeric SMILES

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

InChI

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