3-(3,5-dimethoxyphenyl)-1-(2-methylsulfanylphenyl)prop-2-yn-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(2-methylsulfanylphenyl)prop-2-yn-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(2-methylsulfanylphenyl)prop-2-yn-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[2-(methylthio)phenyl]-2-propyn-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(2-methylsulfanylphenyl)prop-2-yn-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[2-(methylthio)phenyl]prop-2-yn-1-one Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C#CC(=O)C2=CC=CC=C2SC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C#CC(=O)C2=CC=CC=C2SC)OC

InChI

InChI=1S/C18H16O3S/c1-20-14-10-13(11-15(12-14)21-2)8-9-17(19)16-6-4-5-7-18(16)22-3/h4-7,10-12H,1-3H3