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

Systemtic Name: 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C16H12F3N5O MolecularWeight: 347.29459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H12F3N5O/c17-16(18,19)11-8-4-5-9-12(11)20-15(25)22-14-21-13(23-24-14)10-6-2-1-3-7-10/h1-9H,(H3,20,21,22,23,24,25)