1-[1-but-2-ynyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[1-but-2-ynyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-but-2-ynyl-4-(2-phenylsulfanylphenyl)-4-piperidyl]propan-1-one CAS Name: 1-[1-but-2-ynyl-4-[2-(phenylthio)phenyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-[1-but-2-ynyl-4-(2-phenylsulfanylphenyl)piperidin-4-yl]propan-1-one Traditional Name: 1-[1-but-2-ynyl-4-[2-(phenylthio)phenyl]-4-piperidyl]propan-1-one Formula: C24H27NOS MolecularWeight: 377.54228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CC#CC)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CC#CC)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C24H27NOS/c1-3-5-17-25-18-15-24(16-19-25,23(26)4-2)21-13-9-10-14-22(21)27-20-11-7-6-8-12-20/h6-14H,4,15-19H2,1-2H3