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

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H18N4O5S/c1-3-5-22-18(16-4-6-27-12(16)2)20-21-19(22)29-10-14-8-15(23(24)25)7-13-9-26-11-28-17(13)14/h3-4,6-8H,1,5,9-11H2,2H3