1-(4-bromanyl-3-methyl-phenyl)-3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[2-fluoro-4-(trifluoromethyl)benzyl]thiourea Formula: C16H13BrF4N2S MolecularWeight: 421.250433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NCC2=C(C=C(C=C2)C(F)(F)F)F)Br

InChI

InChI=1S/C16H13BrF4N2S/c1-9-6-12(4-5-13(9)17)23-15(24)22-8-10-2-3-11(7-14(10)18)16(19,20)21/h2-7H,8H2,1H3,(H2,22,23,24)