1-ethyl-7-nitro-4-oxidanylidene-N-(2-sulfanylethyl)cinnoline-3-carboxamide

Systemtic Name: 1-ethyl-7-nitro-4-oxidanylidene-N-(2-sulfanylethyl)cinnoline-3-carboxamide Openeye Name: 1-ethyl-7-nitro-4-oxo-N-(2-sulfanylethyl)cinnoline-3-carboxamide CAS Name: 1-ethyl-N-(2-mercaptoethyl)-7-nitro-4-oxo-3-cinnolinecarboxamide IUPAC Name: 1-ethyl-7-nitro-4-oxo-N-(2-sulfanylethyl)cinnoline-3-carboxamide Traditional Name: 1-ethyl-4-keto-N-(2-mercaptoethyl)-7-nitro-cinnoline-3-carboxamide Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCCS

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCCS

InChI

InChI=1S/C13H14N4O4S/c1-2-16-10-7-8(17(20)21)3-4-9(10)12(18)11(15-16)13(19)14-5-6-22/h3-4,7,22H,2,5-6H2,1H3,(H,14,19)