1-(4-bromanyl-3-methyl-phenyl)-3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[3-fluoro-5-(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=CC(=CC(=C2)F)C(F)(F)F)Br

Isomeric SMILES

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

InChI

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