N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(4-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-23-12-11-21-20(23)19(14-3-7-16(28-2)8-4-14)22-18(25)13-29-17-9-5-15(6-10-17)24(26)27/h3-12,19H,13H2,1-2H3,(H,22,25)