2-[5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanamide

Systemtic Name: 2-[5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanamide Openeye Name: 2-(3-benzyl-5-nitro-imidazol-4-yl)sulfanylacetamide CAS Name: 2-[[5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]acetamide IUPAC Name: 2-(3-benzyl-5-nitroimidazol-4-yl)sulfanylacetamide Traditional Name: 2-[(3-benzyl-5-nitro-imidazol-4-yl)thio]acetamide Formula: C12H12N4O3S MolecularWeight: 292.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c13-10(17)7-20-12-11(16(18)19)14-8-15(12)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,17)