2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone hydrochloride

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone hydrochloride Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitro-phenyl)ethanone hydrochloride CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-(4-methoxy-3-nitrophenyl)ethanone hydrochloride IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methoxy-3-nitrophenyl)ethanone hydrochloride Traditional Name: 2-(2-imidazolin-2-ylthio)-1-(4-methoxy-3-nitro-phenyl)ethanone hydrochloride Formula: C12H14ClN3O4S MolecularWeight: 331.77526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl

InChI

InChI=1S/C12H13N3O4S.ClH/c1-19-11-3-2-8(6-9(11)15(17)18)10(16)7-20-12-13-4-5-14-12;/h2-3,6H,4-5,7H2,1H3,(H,13,14);1H