3-methyl-N'-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: 3-methyl-N'-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: 3-methyl-N'-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-4-oxo-phthalazine-1-carbohydrazide CAS Name: 3-methyl-N'-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: 3-methyl-N'-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-4-oxophthalazine-1-carbohydrazide Traditional Name: 4-keto-3-methyl-N'-[2-[(4-methyl-2-quinolyl)thio]acetyl]phthalazine-1-carbohydrazide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H19N5O3S/c1-13-11-19(23-17-10-6-5-7-14(13)17)31-12-18(28)24-25-21(29)20-15-8-3-4-9-16(15)22(30)27(2)26-20/h3-11H,12H2,1-2H3,(H,24,28)(H,25,29)