3-(2,4-dinitrophenyl)sulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-(2,4-dinitrophenyl)sulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-(2,4-dinitrophenyl)sulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(2,4-dinitrophenyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-(2,4-dinitrophenyl)sulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(2,4-dinitrophenyl)thio]-4-methyl-5-(trifluoromethyl)-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-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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