1-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(3-phenethyl-1,2,3-oxadiazol-3-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(3-phenethyloxadiazol-3-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(3-phenethyl-5-oxadiazol-3-iumyl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(3-phenethyloxadiazol-3-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(3-phenethyloxadiazol-3-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C18H16F3N4O2+ MolecularWeight: 377.34045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=NOC(=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=NOC(=C2)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O2/c19-18(20,21)14-7-4-8-15(11-14)22-17(26)23-16-12-25(24-27-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H-,22,23,24,26)/p+1