N'-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]-2-pyridin-2-yl-quinoline-4-carbohydrazide

Systemtic Name: N'-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]-2-pyridin-2-yl-quinoline-4-carbohydrazide Openeye Name: N'-[2-(m-tolylmethylsulfanyl)acetyl]-2-(2-pyridyl)quinoline-4-carbohydrazide CAS Name: N'-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-2-(2-pyridinyl)-4-quinolinecarbohydrazide IUPAC Name: N'-[2-[(3-methylphenyl)methylsulfanyl]acetyl]-2-pyridin-2-ylquinoline-4-carbohydrazide Traditional Name: N'-[2-[(3-methylbenzyl)thio]acetyl]-2-(2-pyridyl)cinchoninohydrazide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C25H22N4O2S/c1-17-7-6-8-18(13-17)15-32-16-24(30)28-29-25(31)20-14-23(22-11-4-5-12-26-22)27-21-10-3-2-9-19(20)21/h2-14H,15-16H2,1H3,(H,28,30)(H,29,31)