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

Systemtic Name: 2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride Openeye Name: 2-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride CAS Name: 2-[(3-nitro-4-propoxyphenyl)methylthio]-4,5-dihydro-1H-imidazole hydrochloride IUPAC Name: 2-[(3-nitro-4-propoxyphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole hydrochloride Traditional Name: 2-[(3-nitro-4-propoxy-benzyl)thio]-2-imidazoline hydrochloride Formula: C13H18ClN3O3S MolecularWeight: 331.81832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC2=NCCN2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17N3O3S.ClH/c1-2-7-19-12-4-3-10(8-11(12)16(17)18)9-20-13-14-5-6-15-13;/h3-4,8H,2,5-7,9H2,1H3,(H,14,15);1H