1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]-4-sulfanyl-butan-1-one

Systemtic Name: 1-[4-(6-pyridin-2-ylpyridin-3-yl)carbonylpiperazin-1-yl]-4-sulfanyl-butan-1-one Openeye Name: 1-[4-[6-(2-pyridyl)pyridine-3-carbonyl]piperazin-1-yl]-4-sulfanyl-butan-1-one CAS Name: 4-mercapto-1-[4-[oxo-[6-(2-pyridinyl)-3-pyridinyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-pyridin-2-ylpyridine-3-carbonyl)piperazin-1-yl]-4-sulfanylbutan-1-one Traditional Name: 4-mercapto-1-[4-[6-(2-pyridyl)nicotinoyl]piperazino]butan-1-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCS)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C(=O)CCCS)C(=O)C2=CN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C19H22N4O2S/c24-18(5-3-13-26)22-9-11-23(12-10-22)19(25)15-6-7-17(21-14-15)16-4-1-2-8-20-16/h1-2,4,6-8,14,26H,3,5,9-13H2