4-[2-oxidanylidene-2-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-[2-(4-oxo-3-pentyl-phthalazine-1-carbonyl)hydrazino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[2-(4-oxo-3-pentylphthalazine-1-carbonyl)hydrazinyl]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[N'-(3-amyl-4-keto-phthalazine-1-carbonyl)hydrazino]-2-keto-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C21H26N7O3S- MolecularWeight: 456.54124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3C(=NN=C3[S-])CCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3C(=NN=C3[S-])CCC

InChI

InChI=1S/C21H27N7O3S/c1-3-5-8-12-28-20(31)15-11-7-6-10-14(15)18(26-28)19(30)24-23-17(29)13-27-16(9-4-2)22-25-21(27)32/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,32)/p-1