3-nitro-N'-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzohydrazide Traditional Name: N'-[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C13H11N5O5S MolecularWeight: 349.32194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C13H11N5O5S/c19-10-4-5-14-13(15-10)24-7-11(20)16-17-12(21)8-2-1-3-9(6-8)18(22)23/h1-6H,7H2,(H,16,20)(H,17,21)(H,14,15,19)