N'-[2-(cyanomethylsulfanyl)phenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(cyanomethylsulfanyl)phenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(cyanomethylsulfanyl)benzoyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-(cyanomethylthio)phenyl]-oxomethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(cyanomethylsulfanyl)benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-(cyanomethylthio)benzoyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H19N5O3S/c1-2-12-26-21(29)15-8-4-3-7-14(15)18(25-26)20(28)24-23-19(27)16-9-5-6-10-17(16)30-13-11-22/h3-10H,2,12-13H2,1H3,(H,23,27)(H,24,28)