6-bromanyl-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-bromanyl-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-bromo-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-bromo-2-[(3,5-dinitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-bromo-2-[(3,5-dinitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-bromo-2-[(3,5-dinitrobenzyl)thio]-1H-benzimidazole Formula: C14H9BrN4O4S MolecularWeight: 409.21466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)NC(=N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)NC(=N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9BrN4O4S/c15-9-1-2-12-13(5-9)17-14(16-12)24-7-8-3-10(18(20)21)6-11(4-8)19(22)23/h1-6H,7H2,(H,16,17)