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

Systemtic Name: 2-ethylsulfanyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[(2-nitro-4-triflyl-phenyl)thio]-1,3,4-thiadiazole Formula: C11H8F3N3O4S4 MolecularWeight: 431.45413

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3N3O4S4/c1-2-22-9-15-16-10(24-9)23-8-4-3-6(5-7(8)17(18)19)25(20,21)11(12,13)14/h3-5H,2H2,1H3