3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazol-5-yl]amine Formula: C9H5F3N6O4S MolecularWeight: 350.23401

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NNC(=N2)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NNC(=N2)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H5F3N6O4S/c10-9(11,12)3-1-4(17(19)20)6(5(2-3)18(21)22)23-8-14-7(13)15-16-8/h1-2H,(H3,13,14,15,16)