2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C13H12N4O5S3 MolecularWeight: 400.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5S3/c14-10(18)5-24-13-16-15-12(25-13)23-4-8-2-9(17(19)20)1-7-3-21-6-22-11(7)8/h1-2H,3-6H2,(H2,14,18)