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

Systemtic Name: 1-(2-methylpropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-isobutyl-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(2-methylpropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(2-methylpropyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-isobutyl-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C12H14F3N3O2S MolecularWeight: 321.31867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)CNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H14F3N3O2S/c1-7(2)6-16-11(21)17-10-4-3-8(18(19)20)5-9(10)12(13,14)15/h3-5,7H,6H2,1-2H3,(H2,16,17,21)