[3-(2-azanyl-1-methyl-5-oxidanylidene-4-phenyl-imidazol-4-yl)phenyl] tris(fluoranyl)methanesulfonate hydrochloride

Systemtic Name: [3-(2-azanyl-1-methyl-5-oxidanylidene-4-phenyl-imidazol-4-yl)phenyl] tris(fluoranyl)methanesulfonate hydrochloride Openeye Name: [3-(2-amino-1-methyl-5-oxo-4-phenyl-imidazol-4-yl)phenyl] trifluoromethanesulfonate hydrochloride CAS Name: trifluoromethanesulfonic acid [3-(2-amino-1-methyl-5-oxo-4-phenyl-4-imidazolyl)phenyl] ester hydrochloride IUPAC Name: [3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl] trifluoromethanesulfonate hydrochloride Traditional Name: trifluoromethanesulfonic acid [3-(2-amino-5-keto-1-methyl-4-phenyl-2-imidazolin-4-yl)phenyl] ester hydrochloride Formula: C17H15ClF3N3O4S MolecularWeight: 449.83191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F.Cl

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC(=CC=C3)OS(=O)(=O)C(F)(F)F.Cl

InChI

InChI=1S/C17H14F3N3O4S.ClH/c1-23-14(24)16(22-15(23)21,11-6-3-2-4-7-11)12-8-5-9-13(10-12)27-28(25,26)17(18,19)20;/h2-10H,1H3,(H2,21,22);1H