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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenyl-1,2,4-triazole IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4,5-diphenyl-1,2,4-triazole Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c28-27(29)20-11-17-13-30-15-31-21(17)18(12-20)14-32-23-25-24-22(16-7-3-1-4-8-16)26(23)19-9-5-2-6-10-19/h1-12H,13-15H2