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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S2/c29-28(30)20-11-18-14-31-16-32-23(18)19(12-20)15-34-24-26-25-22(13-21-7-4-10-33-21)27(24)9-8-17-5-2-1-3-6-17/h1-7,10-12H,8-9,13-16H2