2-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride

Systemtic Name: 2-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride Openeye Name: 2-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride CAS Name: 2-[(4-butoxy-3-nitrophenyl)methylthio]-4,5-dihydro-1H-imidazole hydrochloride IUPAC Name: 2-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride Traditional Name: 2-[(4-butoxy-3-nitro-benzyl)thio]-2-imidazoline hydrochloride Formula: C14H20ClN3O3S MolecularWeight: 345.8449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H19N3O3S.ClH/c1-2-3-8-20-13-5-4-11(9-12(13)17(18)19)10-21-14-15-6-7-16-14;/h4-5,9H,2-3,6-8,10H2,1H3,(H,15,16);1H