1-methyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-methyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-methyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-tetrazole CAS Name: 1-methyl-5-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]tetrazole IUPAC Name: 1-methyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyltetrazole Traditional Name: 1-methyl-5-[(2-nitro-4-triflyl-phenyl)thio]tetrazole Formula: C9H6F3N5O4S2 MolecularWeight: 369.30025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3N5O4S2/c1-16-8(13-14-15-16)22-7-3-2-5(4-6(7)17(18)19)23(20,21)9(10,11)12/h2-4H,1H3