1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]urea

Systemtic Name: 1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]urea Openeye Name: 1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]urea CAS Name: 1-[2-(1-imidazolyl)-5-(trifluoromethyl)phenyl]-3-[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]urea IUPAC Name: 1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]urea Traditional Name: 1-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]urea Formula: C22H16F3N5O3 MolecularWeight: 455.38935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CN=C3)OC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CN=C3)OC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H16F3N5O3/c23-22(24,25)15-1-6-20(29-12-9-26-14-29)19(13-15)28-21(31)27-16-2-4-17(5-3-16)33-18-7-10-30(32)11-8-18/h1-14H,(H2,27,28,31)