N'-(2-tert-butylsulfanylethanoyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2-tert-butylsulfanylethanoyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2-tert-butylsulfanylacetyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[2-(tert-butylthio)-1-oxoethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-tert-butylsulfanylacetyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[2-(tert-butylthio)acetyl]-4-keto-phthalazine-1-carbohydrazide Formula: C20H28N4O3S MolecularWeight: 404.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC(C)(C)C

InChI

InChI=1S/C20H28N4O3S/c1-5-6-9-12-24-19(27)15-11-8-7-10-14(15)17(23-24)18(26)22-21-16(25)13-28-20(2,3)4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H,21,25)(H,22,26)