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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)CC4=CC=CS4

InChI

InChI=1S/C17H16N4O4S2/c1-20-15(7-14-3-2-4-26-14)18-19-17(20)27-9-12-6-13(21(22)23)5-11-8-24-10-25-16(11)12/h2-6H,7-10H2,1H3