2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1H-benzimidazole IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-1H-benzimidazole Formula: C14H11N3O4S2 MolecularWeight: 349.38484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S2/c1-23(20,21)9-6-7-13(12(8-9)17(18)19)22-14-15-10-4-2-3-5-11(10)16-14/h2-8H,1H3,(H,15,16)