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

Systemtic Name: 1-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]-3-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]-3-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]-3-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]-3-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]-3-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]urea Formula: C21H15F3N6O3 MolecularWeight: 456.37741

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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=NC=N3)OC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)OC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H15F3N6O3/c22-21(23,24)14-1-6-19(30-13-25-12-26-30)18(11-14)28-20(31)27-15-2-4-16(5-3-15)33-17-7-9-29(32)10-8-17/h1-13H,(H2,27,28,31)