3-(4-methylsulfanylphenyl)-1-(4-propylphenyl)prop-2-yn-1-one

Systemtic Name: 3-(4-methylsulfanylphenyl)-1-(4-propylphenyl)prop-2-yn-1-one Openeye Name: 3-(4-methylsulfanylphenyl)-1-(4-propylphenyl)prop-2-yn-1-one CAS Name: 3-[4-(methylthio)phenyl]-1-(4-propylphenyl)-2-propyn-1-one IUPAC Name: 3-(4-methylsulfanylphenyl)-1-(4-propylphenyl)prop-2-yn-1-one Traditional Name: 3-[4-(methylthio)phenyl]-1-(4-propylphenyl)prop-2-yn-1-one Formula: C19H18OS MolecularWeight: 294.41062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H18OS/c1-3-4-15-5-10-17(11-6-15)19(20)14-9-16-7-12-18(21-2)13-8-16/h5-8,10-13H,3-4H2,1-2H3