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

Systemtic Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C12H12N4O4S MolecularWeight: 308.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CN1C=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C12H12N4O4S/c1-15-6-13-14-12(15)21-5-9-3-10(16(17)18)2-8-4-19-7-20-11(8)9/h2-3,6H,4-5,7H2,1H3