5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(2-oxolanylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]-(tetrahydrofurfuryl)amine Formula: C16H18N4O5S2 MolecularWeight: 410.46792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC(OC1)CNC2=NN=C(S2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C16H18N4O5S2/c21-20(22)12-4-10-7-23-9-25-14(10)11(5-12)8-26-16-19-18-15(27-16)17-6-13-2-1-3-24-13/h4-5,13H,1-3,6-9H2,(H,17,18)