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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3O2S/c1-11(2,3)17-10(21)16-8-5-4-7(12(13,14)15)6-9(8)18(19)20/h4-6H,1-3H3,(H2,16,17,21)