3-[3-(2-ethylpentylsulfanyl)phenyl]-1-ethynyl-5-phenyl-pyridin-4-one

Systemtic Name: 3-[3-(2-ethylpentylsulfanyl)phenyl]-1-ethynyl-5-phenyl-pyridin-4-one Openeye Name: 3-[3-(2-ethylpentylsulfanyl)phenyl]-1-ethynyl-5-phenyl-pyridin-4-one CAS Name: 3-[3-(2-ethylpentylthio)phenyl]-1-ethynyl-5-phenyl-4-pyridinone IUPAC Name: 3-[3-(2-ethylpentylsulfanyl)phenyl]-1-ethynyl-5-phenylpyridin-4-one Traditional Name: 3-[3-(2-ethylpentylthio)phenyl]-1-ethynyl-5-phenyl-4-pyridone Formula: C26H27NOS MolecularWeight: 401.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CSC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3)C#C

Isomeric SMILES

CCCC(CC)CSC1=CC=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3)C#C

InChI

InChI=1S/C26H27NOS/c1-4-11-20(5-2)19-29-23-15-10-14-22(16-23)25-18-27(6-3)17-24(26(25)28)21-12-8-7-9-13-21/h3,7-10,12-18,20H,4-5,11,19H2,1-2H3