2-(4-nitroimidazol-1-yl)-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-(4-nitroimidazol-1-yl)-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(4-nitroimidazol-1-yl)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(4-nitro-1-imidazolyl)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(4-nitroimidazol-1-yl)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(4-nitroimidazol-1-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c18-13(9-16-8-12(15-10-16)17(19)20)14-6-7-21-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,14,18)