1-tert-butyl-3-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[oxo-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]methyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]thiourea Formula: C16H18F3N5OS MolecularWeight: 385.40723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H18F3N5OS/c1-15(2,3)21-14(26)23-22-13(25)11-9-20-24(12(11)16(17,18)19)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,22,25)(H2,21,23,26)