1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

Systemtic Name: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea Openeye Name: 1-phenyl-3-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea CAS Name: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]urea IUPAC Name: 1-phenyl-3-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea Traditional Name: 1-phenyl-3-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C21H15F3N4OS/c22-21(23,24)19-13-17(18-7-4-12-30-18)28(27-19)16-10-8-15(9-11-16)26-20(29)25-14-5-2-1-3-6-14/h1-13H,(H2,25,26,29)