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

Systemtic Name: N'-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(2-cyanophenyl)sulfanylbenzoyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(2-cyanophenyl)sulfanylbenzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-[(2-cyanophenyl)thio]benzoyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H21N5O3S/c1-2-15-31-26(34)19-11-5-4-10-18(19)23(30-31)25(33)29-28-24(32)20-12-6-8-14-22(20)35-21-13-7-3-9-17(21)16-27/h3-14H,2,15H2,1H3,(H,28,32)(H,29,33)