N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoyl]-2-nitro-phenyl]ethanamide hydrochloride

Systemtic Name: N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoyl]-2-nitro-phenyl]ethanamide hydrochloride Openeye Name: N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-2-nitro-phenyl]acetamide hydrochloride CAS Name: N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-oxoethyl]-2-nitrophenyl]acetamide hydrochloride IUPAC Name: N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-2-nitrophenyl]acetamide hydrochloride Traditional Name: N-[4-[2-(2-imidazolin-2-ylthio)acetyl]-2-nitro-phenyl]acetamide hydrochloride Formula: C13H15ClN4O4S MolecularWeight: 358.8006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H14N4O4S.ClH/c1-8(18)16-10-3-2-9(6-11(10)17(20)21)12(19)7-22-13-14-4-5-15-13;/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,18);1H