5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole Formula: C9H4F3N5O4S MolecularWeight: 335.21937

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC=NN2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SC2=NC=NN2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H4F3N5O4S/c10-9(11,12)4-1-5(16(18)19)7(6(2-4)17(20)21)22-8-13-3-14-15-8/h1-3H,(H,13,14,15)