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

Systemtic Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCN1C=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C13H14N4O4S/c1-2-16-7-14-15-13(16)22-6-10-4-11(17(18)19)3-9-5-20-8-21-12(9)10/h3-4,7H,2,5-6,8H2,1H3