4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CO4)CC5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CO4)CC5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S2/c26-25(27)16-7-14-11-28-13-30-20(14)15(8-16)12-32-21-23-22-19(9-18-4-2-6-31-18)24(21)10-17-3-1-5-29-17/h1-8H,9-13H2