(E)-1-(3-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-(3-butylphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-butylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-butylphenyl)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C20H22OS MolecularWeight: 310.45308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H22OS/c1-3-4-6-17-7-5-8-18(15-17)20(21)14-11-16-9-12-19(22-2)13-10-16/h5,7-15H,3-4,6H2,1-2H3/b14-11+