5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-methyl-1,2,3,4-tetrazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H5F3N6O4S/c1-16-8(13-14-15-16)23-7-5(17(19)20)2-4(9(10,11)12)3-6(7)18(21)22/h2-3H,1H3