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

Systemtic Name: 1-(4-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one Openeye Name: 1-(4-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one CAS Name: 1-(4-butylphenyl)-3-[4-(methylthio)phenyl]-2-propyn-1-one IUPAC Name: 1-(4-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-one Traditional Name: 1-(4-butylphenyl)-3-[4-(methylthio)phenyl]prop-2-yn-1-one Formula: C20H20OS MolecularWeight: 308.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20OS/c1-3-4-5-16-6-11-18(12-7-16)20(21)15-10-17-8-13-19(22-2)14-9-17/h6-9,11-14H,3-5H2,1-2H3