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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S2/c27-26(28)18-9-16-12-29-14-30-20(16)17(10-18)13-32-22-24-23-21(19-7-4-8-31-19)25(22)11-15-5-2-1-3-6-15/h1-10H,11-14H2