3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-methyl-1,2,4-triazole Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-methyl-1,2,4-triazole IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-methyl-1,2,4-triazole Formula: C10H6F3N5O4S MolecularWeight: 349.24595

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H6F3N5O4S/c1-16-4-14-15-9(16)23-8-6(17(19)20)2-5(10(11,12)13)3-7(8)18(21)22/h2-4H,1H3