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

Systemtic Name: 4-(4-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(4-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(4-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(4-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(4-chlorophenyl)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C23H17ClN4O4S MolecularWeight: 480.92348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O4S/c24-18-6-8-19(9-7-18)27-22(15-4-2-1-3-5-15)25-26-23(27)33-13-17-11-20(28(29)30)10-16-12-31-14-32-21(16)17/h1-11H,12-14H2