N'-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(3-chlorobenzothiophene-2-carbonyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(3-chlorobenzothiophene-2-carbonyl)-4-keto-phthalazine-1-carbohydrazide Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H21ClN4O3S/c1-2-3-8-13-28-23(31)15-10-5-4-9-14(15)19(27-28)21(29)25-26-22(30)20-18(24)16-11-6-7-12-17(16)32-20/h4-7,9-12H,2-3,8,13H2,1H3,(H,25,29)(H,26,30)