(E)-3-(3-butyl-4-methylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22OS/c1-3-4-8-18-15-16(12-14-20(18)22-2)11-13-19(21)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3/b13-11+