1-(3-chloranylbut-3-en-2-yl)-1-[4-fluoranyl-3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-chloranylbut-3-en-2-yl)-1-[4-fluoranyl-3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2-chloro-1-methyl-allyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(3-chlorobut-3-en-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-chlorobut-3-en-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-chloro-1-methyl-allyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]thiourea Formula: C12H11ClF4N2S MolecularWeight: 326.740753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C)Cl)N(C1=CC(=C(C=C1)F)C(F)(F)F)C(=S)N

Isomeric SMILES

CC(C(=C)Cl)N(C1=CC(=C(C=C1)F)C(F)(F)F)C(=S)N

InChI

InChI=1S/C12H11ClF4N2S/c1-6(13)7(2)19(11(18)20)8-3-4-10(14)9(5-8)12(15,16)17/h3-5,7H,1H2,2H3,(H2,18,20)