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

Systemtic Name: 4-azanyl-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one Openeye Name: 4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-6-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazin-5-one Formula: C13H13N5O5S MolecularWeight: 351.33782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C13H13N5O5S/c1-7-12(19)17(14)13(16-15-7)24-5-9-3-10(18(20)21)2-8-4-22-6-23-11(8)9/h2-3H,4-6,14H2,1H3