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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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