2-[(4-nitrophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide CAS Name: 2-[(4-nitrophenyl)methylthio]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide Traditional Name: 2-[(4-nitrobenzyl)thio]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole hydrobromide Formula: C14H18BrN3O2S MolecularWeight: 372.28062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

C1CCC2C(C1)NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C14H17N3O2S.BrH/c18-17(19)11-7-5-10(6-8-11)9-20-14-15-12-3-1-2-4-13(12)16-14;/h5-8,12-13H,1-4,9H2,(H,15,16);1H