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

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-26(28)18-9-16-12-29-14-31-20(16)17(10-18)13-32-22-24-23-21(15-5-2-1-3-6-15)25(22)11-19-7-4-8-30-19/h1-10H,11-14H2