3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-methoxyphenoxy)methyl]-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H22N4O6S/c1-3-8-25-20(12-31-19-6-4-18(29-2)5-7-19)23-24-22(25)33-13-16-10-17(26(27)28)9-15-11-30-14-32-21(15)16/h3-7,9-10H,1,8,11-14H2,2H3