2-(1H-imidazol-2-ylsulfanyl)-N-methyl-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide hydrochloride

Systemtic Name: 2-(1H-imidazol-2-ylsulfanyl)-N-methyl-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide hydrochloride Openeye Name: N-(2-benzoyl-4-nitro-phenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methyl-acetamide hydrochloride CAS Name: N-(2-benzoyl-4-nitrophenyl)-2-(1H-imidazol-2-ylthio)-N-methylacetamide hydrochloride IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide hydrochloride Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-acetamide hydrochloride Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3.Cl

Isomeric SMILES

CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CSC3=NC=CN3.Cl

InChI

InChI=1S/C19H16N4O4S.ClH/c1-22(17(24)12-28-19-20-9-10-21-19)16-8-7-14(23(26)27)11-15(16)18(25)13-5-3-2-4-6-13;/h2-11H,12H2,1H3,(H,20,21);1H