N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O4S/c1-25-10-9-23-21(25)20(15-4-6-16(22)7-5-15)24-19(27)13-31-12-14-3-8-18(30-2)17(11-14)26(28)29/h3-11,20H,12-13H2,1-2H3,(H,24,27)