6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C17H15N3O4S/c1-10-2-3-14-15(4-10)19-17(18-14)25-8-12-6-13(20(21)22)5-11-7-23-9-24-16(11)12/h2-6H,7-9H2,1H3,(H,18,19)