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

Systemtic Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2H-1,2,4-triazin-5-one Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=NNC(=NC1=O)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

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)