1-butyl-3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]thiourea

Systemtic Name: 1-butyl-3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]thiourea Openeye Name: 1-butyl-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea CAS Name: 1-butyl-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea IUPAC Name: 1-butyl-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea Traditional Name: 1-butyl-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea Formula: C12H14F3N5O4S MolecularWeight: 381.33087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)NNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N5O4S/c1-2-3-4-16-11(25)18-17-10-8(19(21)22)5-7(12(13,14)15)6-9(10)20(23)24/h5-6,17H,2-4H2,1H3,(H2,16,18,25)