1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[3-(4-methylsulfanylbenzoyl)-1-piperidyl]but-2-yn-1-one CAS Name: 1-[3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[3-[4-(methylthio)benzoyl]piperidino]but-2-yn-1-one Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC#CC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO2S/c1-3-5-16(19)18-11-4-6-14(12-18)17(20)13-7-9-15(21-2)10-8-13/h7-10,14H,4,6,11-12H2,1-2H3