3-nitro-4-[2-oxidanylidene-2-(2-pyrimidin-2-ylhydrazinyl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(2-pyrimidin-2-ylhydrazinyl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-(2-pyrimidin-2-ylhydrazino)ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(2-pyrimidinylhydrazo)ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(2-pyrimidin-2-ylhydrazinyl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[N'-(2-pyrimidyl)hydrazino]ethyl]thio]-3-nitro-benzamide Formula: C13H12N6O4S MolecularWeight: 348.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4S/c14-12(21)8-2-3-10(9(6-8)19(22)23)24-7-11(20)17-18-13-15-4-1-5-16-13/h1-6H,7H2,(H2,14,21)(H,17,20)(H,15,16,18)