3-nitro-N'-(2-pyrimidin-2-ylsulfanylethanoyl)benzohydrazide

Systemtic Name: 3-nitro-N'-(2-pyrimidin-2-ylsulfanylethanoyl)benzohydrazide Openeye Name: 3-nitro-N'-(2-pyrimidin-2-ylsulfanylacetyl)benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-(2-pyrimidinylthio)ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-(2-pyrimidin-2-ylsulfanylacetyl)benzohydrazide Traditional Name: 3-nitro-N'-[2-(2-pyrimidylthio)acetyl]benzohydrazide Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4S/c19-11(8-23-13-14-5-2-6-15-13)16-17-12(20)9-3-1-4-10(7-9)18(21)22/h1-7H,8H2,(H,16,19)(H,17,20)