1-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-butyl-thiourea

Systemtic Name: 1-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-butyl-thiourea Openeye Name: 1-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-butyl-thiourea CAS Name: 1-[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]propyl]-3-butylthiourea IUPAC Name: 1-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-butylthiourea Traditional Name: 1-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-butyl-thiourea Formula: C13H20BrF3N4S MolecularWeight: 401.28891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCCN1C(=C(C(=N1)C(F)(F)F)Br)C

Isomeric SMILES

CCCCNC(=S)NCCCN1C(=C(C(=N1)C(F)(F)F)Br)C

InChI

InChI=1S/C13H20BrF3N4S/c1-3-4-6-18-12(22)19-7-5-8-21-9(2)10(14)11(20-21)13(15,16)17/h3-8H2,1-2H3,(H2,18,19,22)