2-ethylsulfanyl-5-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-ethylsulfanyl-5-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]methylthio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]methylthio]-1,3,4-thiadiazole Formula: C18H14FN5O2S3 MolecularWeight: 447.529463

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SCC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN5O2S3/c1-2-27-17-21-22-18(29-17)28-10-16-20-14-9-13(24(25)26)7-8-15(14)23(16)12-5-3-11(19)4-6-12/h3-9H,2,10H2,1H3