benzenesulfonic acid; 4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

Systemtic Name: benzenesulfonic acid; 4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine Openeye Name: benzenesulfonic acid; 4-(8-quinolyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine CAS Name: benzenesulfonic acid; 4-(8-quinolinyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine IUPAC Name: benzenesulfonic acid; 4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine Traditional Name: besylic acid; [4-(8-quinolyl)-s-triazin-2-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C25H18F3N5O3S MolecularWeight: 525.50233

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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=NC(=NC=N3)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=NC(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)N=CC=C2

InChI

InChI=1S/C19H12F3N5.C6H6O3S/c20-19(21,22)13-6-8-14(9-7-13)26-18-25-11-24-17(27-18)15-5-1-3-12-4-2-10-23-16(12)15;7-10(8,9)6-4-2-1-3-5-6/h1-11H,(H,24,25,26,27);1-5H,(H,7,8,9)