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

Systemtic Name: 4-(2-methoxyphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(2-methoxyphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-methoxyphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(2-methoxyphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(2-methoxyphenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

InChI

InChI=1S/C22H18N4O5S2/c1-29-18-6-3-2-5-17(18)25-21(19-7-4-8-32-19)23-24-22(25)33-12-15-10-16(26(27)28)9-14-11-30-13-31-20(14)15/h2-10H,11-13H2,1H3