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

Systemtic Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-methoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazole Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H20N4O5S/c1-3-23-19(16-6-4-5-7-17(16)27-2)21-22-20(23)30-11-14-9-15(24(25)26)8-13-10-28-12-29-18(13)14/h4-9H,3,10-12H2,1-2H3