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

Systemtic Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazin-5-olate Formula: C13H11N4O5S- MolecularWeight: 335.31524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)[O-]

InChI

InChI=1S/C13H12N4O5S/c1-7-12(18)14-13(16-15-7)23-5-9-3-10(17(19)20)2-8-4-21-6-22-11(8)9/h2-3H,4-6H2,1H3,(H,14,16,18)/p-1