N'-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2-chloro-5-methylsulfanyl-benzoyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-chloro-5-methylsulfanylbenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[2-chloro-5-(methylthio)benzoyl]-4-keto-phthalazine-1-carbohydrazide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-3-4-7-12-27-22(30)16-9-6-5-8-15(16)19(26-27)21(29)25-24-20(28)17-13-14(31-2)10-11-18(17)23/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,24,28)(H,25,29)