1-(4-butan-2-ylphenyl)-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea Openeye Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea Traditional Name: 1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-sec-butylphenyl)thiourea Formula: C21H27F3N4S MolecularWeight: 424.52609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C(=CC(=N2)C(F)(F)F)C3CC3

InChI

InChI=1S/C21H27F3N4S/c1-3-14(2)15-7-9-17(10-8-15)26-20(29)25-11-4-12-28-18(16-5-6-16)13-19(27-28)21(22,23)24/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H2,25,26,29)