(2-phenylsulfanylpyridin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [2-(phenylthio)-3-pyridinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(phenylthio)-3-pyridyl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c26-21(25-15-13-24(14-16-25)19-10-4-5-11-22-19)18-9-6-12-23-20(18)27-17-7-2-1-3-8-17/h1-12H,13-16H2