1-butyl-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-butyl-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-butyl-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-butyl-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-butyl-3-[2-fluoro-5-(trifluoromethyl)phenyl]thiourea Formula: C12H14F4N2S MolecularWeight: 294.311573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)F

Isomeric SMILES

CCCCNC(=S)NC1=C(C=CC(=C1)C(F)(F)F)F

InChI

InChI=1S/C12H14F4N2S/c1-2-3-6-17-11(19)18-10-7-8(12(14,15)16)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H2,17,18,19)