5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(2-nitro-4-triflyl-phenyl)thio]-3H-1,3,4-thiadiazole-2-thione Formula: C9H4F3N3O4S4 MolecularWeight: 403.40097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SC2=NNC(=S)S2

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SC2=NNC(=S)S2

InChI

InChI=1S/C9H4F3N3O4S4/c10-9(11,12)23(18,19)4-1-2-6(5(3-4)15(16)17)21-8-14-13-7(20)22-8/h1-3H,(H,13,20)