1-(4-bromanyl-2-chloranyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C14H8BrClF3N3O2S MolecularWeight: 454.64943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H8BrClF3N3O2S/c15-7-1-3-12(10(16)5-7)21-13(25)20-11-4-2-8(22(23)24)6-9(11)14(17,18)19/h1-6H,(H2,20,21,25)