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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H16N4O5S/c1-2-3-17-13(19)15-16-14(17)24-7-10-5-11(18(20)21)4-9-6-22-8-23-12(9)10/h4-5H,2-3,6-8H2,1H3,(H,15,19)