1-(3-methoxy-4-oxidanyl-phenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one Openeye Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-3-[4-(methylthio)phenyl]-2-propyn-1-one IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one Traditional Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-[4-(methylthio)phenyl]prop-2-yn-1-one Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C#CC2=CC=C(C=C2)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C#CC2=CC=C(C=C2)SC)O

InChI

InChI=1S/C17H14O3S/c1-20-17-11-13(6-10-16(17)19)15(18)9-5-12-3-7-14(21-2)8-4-12/h3-4,6-8,10-11,19H,1-2H3