3-nitro-N-(2H-1,2,3,4-tetrazol-5-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-N-(2H-1,2,3,4-tetrazol-5-ylcarbamothioyl)benzamide Openeye Name: 3-nitro-N-(2H-tetrazol-5-ylcarbamothioyl)benzamide CAS Name: 3-nitro-N-[sulfanylidene-(2H-tetrazol-5-ylamino)methyl]benzamide IUPAC Name: 3-nitro-N-(2H-tetrazol-5-ylcarbamothioyl)benzamide Traditional Name: 3-nitro-N-(2H-tetrazol-5-ylthiocarbamoyl)benzamide Formula: C9H7N7O3S MolecularWeight: 293.26198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NNN=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NNN=N2

InChI

InChI=1S/C9H7N7O3S/c17-7(5-2-1-3-6(4-5)16(18)19)10-9(20)11-8-12-14-15-13-8/h1-4H,(H3,10,11,12,13,14,15,17,20)