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

Systemtic Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyl-tetrazole CAS Name: 5-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-phenyltetrazole IUPAC Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyltetrazole Traditional Name: 5-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-phenyl-tetrazole Formula: C14H7F3N6O4S MolecularWeight: 412.30339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H7F3N6O4S/c15-14(16,17)8-6-10(22(24)25)12(11(7-8)23(26)27)28-13-18-19-20-21(13)9-4-2-1-3-5-9/h1-7H