3-nitro-N'-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide Traditional Name: 3-nitro-N'-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]benzohydrazide Formula: C16H13N7O4S MolecularWeight: 399.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O4S/c24-14(17-18-15(25)11-5-4-8-13(9-11)23(26)27)10-28-16-19-20-21-22(16)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,24)(H,18,25)