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

Systemtic Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-phenyl-tetrazole CAS Name: 5-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1-phenyltetrazole IUPAC Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1-phenyltetrazole Traditional Name: 5-[(2-nitro-4-triflyl-phenyl)thio]-1-phenyl-tetrazole Formula: C14H8F3N5O4S2 MolecularWeight: 431.36963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H8F3N5O4S2/c15-14(16,17)28(25,26)10-6-7-12(11(8-10)22(23)24)27-13-18-19-20-21(13)9-4-2-1-3-5-9/h1-8H