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

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=CN3CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c21-20(22)13-4-11-7-23-10-25-15(11)12(5-13)8-26-16-18-17-9-19(16)6-14-2-1-3-24-14/h1-5,9H,6-8,10H2