2-[4-(4-fluorophenyl)-8-(trifluoromethyl)phthalazin-1-yl]guanidine; methanesulfonate

Systemtic Name: 2-[4-(4-fluorophenyl)-8-(trifluoromethyl)phthalazin-1-yl]guanidine; methanesulfonate Openeye Name: 2-[4-(4-fluorophenyl)-8-(trifluoromethyl)phthalazin-1-yl]guanidine; methanesulfonate CAS Name: 2-[4-(4-fluorophenyl)-8-(trifluoromethyl)-1-phthalazinyl]guanidine; methanesulfonate IUPAC Name: 2-[4-(4-fluorophenyl)-8-(trifluoromethyl)phthalazin-1-yl]guanidine; methanesulfonate Traditional Name: 2-[4-(4-fluorophenyl)-8-(trifluoromethyl)phthalazin-1-yl]guanidine mesylate Formula: C17H14F4N5O3S- MolecularWeight: 444.383373

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC2=C(C(=C1)C(F)(F)F)C(=NN=C2C3=CC=C(C=C3)F)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC2=C(C(=C1)C(F)(F)F)C(=NN=C2C3=CC=C(C=C3)F)N=C(N)N

InChI

InChI=1S/C16H11F4N5.CH4O3S/c17-9-6-4-8(5-7-9)13-10-2-1-3-11(16(18,19)20)12(10)14(25-24-13)23-15(21)22;1-5(2,3)4/h1-7H,(H4,21,22,23,25);1H3,(H,2,3,4)/p-1