N-(2-cyano-4-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C13H11N5O3S MolecularWeight: 317.32314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H11N5O3S/c1-17-5-4-15-13(17)22-8-12(19)16-11-3-2-10(18(20)21)6-9(11)7-14/h2-6H,8H2,1H3,(H,16,19)