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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenyl-5-(2-thenyl)-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(N3C4=CC=CC=C4)CC5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CS5)[N+](=O)[O-]

InChI

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