2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-(cyanomethylthio)-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-(cyanomethylthio)-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C11H11N3O3S MolecularWeight: 265.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c1-8-2-3-9(6-10(8)14(16)17)13-11(15)7-18-5-4-12/h2-3,6H,5,7H2,1H3,(H,13,15)