1-(2,4-dimethyl-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2,4-dimethyl-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2,4-dimethyl-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H14F3N3O2S/c1-9-6-10(2)14(22(23)24)8-13(9)21-15(25)20-12-5-3-4-11(7-12)16(17,18)19/h3-8H,1-2H3,(H2,20,21,25)