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

Systemtic Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methyl-3-furanyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methylfuran-3-yl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-methyl-3-furyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=C(OC=C4)C

InChI

InChI=1S/C18H18N4O5S/c1-3-21-17(15-4-5-26-11(15)2)19-20-18(21)28-9-13-7-14(22(23)24)6-12-8-25-10-27-16(12)13/h4-7H,3,8-10H2,1-2H3