1-[3-methyl-5-morpholin-4-yl-4-(2-phenylethynylsulfanyl)phenyl]ethanone

Systemtic Name: 1-[3-methyl-5-morpholin-4-yl-4-(2-phenylethynylsulfanyl)phenyl]ethanone Openeye Name: 1-[3-methyl-5-morpholino-4-(2-phenylethynylsulfanyl)phenyl]ethanone CAS Name: 1-[3-methyl-5-(4-morpholinyl)-4-(2-phenylethynylthio)phenyl]ethanone IUPAC Name: 1-[3-methyl-5-morpholin-4-yl-4-(2-phenylethynylsulfanyl)phenyl]ethanone Traditional Name: 1-[3-methyl-5-morpholino-4-(2-phenylethynylthio)phenyl]ethanone Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)C)N2CCOCC2)SC#CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)C)N2CCOCC2)SC#CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2S/c1-16-14-19(17(2)23)15-20(22-9-11-24-12-10-22)21(16)25-13-8-18-6-4-3-5-7-18/h3-7,14-15H,9-12H2,1-2H3