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

Systemtic Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CS4

InChI

InChI=1S/C17H16N4O4S2/c1-2-20-16(14-4-3-5-26-14)18-19-17(20)27-9-12-7-13(21(22)23)6-11-8-24-10-25-15(11)12/h3-7H,2,8-10H2,1H3