5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-[2-(methylthio)nicotinoyl]piperazino]methyl]pyran-4-one Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-33-23-19(6-4-8-26-23)24(30)28-11-9-27(10-12-28)14-18-13-21(29)22(16-31-18)32-15-17-5-2-3-7-20(17)25/h2-8,13,16H,9-12,14-15H2,1H3