N-[2-(5-acetamido-2-nitro-phenyl)sulfanylethyl]ethanamide

Systemtic Name: N-[2-(5-acetamido-2-nitro-phenyl)sulfanylethyl]ethanamide Openeye Name: N-[2-(5-acetamido-2-nitro-phenyl)sulfanylethyl]acetamide CAS Name: N-[2-[(5-acetamido-2-nitrophenyl)thio]ethyl]acetamide IUPAC Name: N-[2-(5-acetamido-2-nitrophenyl)sulfanylethyl]acetamide Traditional Name: N-[2-[(5-acetamido-2-nitro-phenyl)thio]ethyl]acetamide Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C=CC(=C1)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCSC1=C(C=CC(=C1)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-8(16)13-5-6-20-12-7-10(14-9(2)17)3-4-11(12)15(18)19/h3-4,7H,5-6H2,1-2H3,(H,13,16)(H,14,17)