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

Systemtic Name: [3-[3-(2-azanyl-1-methyl-5-oxidanylidene-4-phenyl-imidazol-4-yl)phenyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3-[3-(2-amino-1-methyl-5-oxo-4-phenyl-imidazol-4-yl)phenyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-[3-(2-amino-1-methyl-5-oxo-4-phenyl-4-imidazolyl)phenyl]phenyl] ester IUPAC Name: [3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-[3-(2-amino-5-keto-1-methyl-4-phenyl-2-imidazolin-4-yl)phenyl]phenyl] ester Formula: C23H18F3N3O4S MolecularWeight: 489.46693

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC(=CC=C4)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C23H18F3N3O4S/c1-29-20(30)22(28-21(29)27,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(14-16)33-34(31,32)23(24,25)26/h2-14H,1H3,(H2,27,28)