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

Systemtic Name: 1-tert-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H22FN5OS/c1-21(2,3)23-20(29)25-24-19(28)17-13-27(16-7-5-4-6-8-16)26-18(17)14-9-11-15(22)12-10-14/h4-13H,1-3H3,(H,24,28)(H2,23,25,29)