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

Systemtic Name: 2-methylsulfanyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-methylsulfanyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(methylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-methylsulfanyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(methylthio)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazole Formula: C12H11N3O4S3 MolecularWeight: 357.42844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CSC1=NN=C(S1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C12H11N3O4S3/c1-20-11-13-14-12(22-11)21-5-8-3-9(15(16)17)2-7-4-18-6-19-10(7)8/h2-3H,4-6H2,1H3