N'-(2-methylsulfanylpyridin-3-yl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2-methylsulfanylpyridin-3-yl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2-methylsulfanylpyridine-3-carbonyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-methylsulfanylpyridine-3-carbonyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[2-(methylthio)nicotinoyl]phthalazine-1-carbohydrazide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-3-4-7-13-26-21(29)15-10-6-5-9-14(15)17(25-26)19(28)24-23-18(27)16-11-8-12-22-20(16)30-2/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,23,27)(H,24,28)