1-(2-methylpropyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea

Systemtic Name: 1-(2-methylpropyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea Openeye Name: 1-isobutyl-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea CAS Name: 1-(2-methylpropyl)-3-[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]thiourea IUPAC Name: 1-(2-methylpropyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea Traditional Name: 1-isobutyl-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea Formula: C13H21F3N4S MolecularWeight: 322.39285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)NCC(C)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)NCC(C)C)C(F)(F)F

InChI

InChI=1S/C13H21F3N4S/c1-9(2)8-18-12(21)17-5-4-6-20-10(3)7-11(19-20)13(14,15)16/h7,9H,4-6,8H2,1-3H3,(H2,17,18,21)