3-[2-(3-ethylhexylsulfanyl)phenyl]-1-methyl-5-phenyl-pyridin-4-one

Systemtic Name: 3-[2-(3-ethylhexylsulfanyl)phenyl]-1-methyl-5-phenyl-pyridin-4-one Openeye Name: 3-[2-(3-ethylhexylsulfanyl)phenyl]-1-methyl-5-phenyl-pyridin-4-one CAS Name: 3-[2-(3-ethylhexylthio)phenyl]-1-methyl-5-phenyl-4-pyridinone IUPAC Name: 3-[2-(3-ethylhexylsulfanyl)phenyl]-1-methyl-5-phenylpyridin-4-one Traditional Name: 3-[2-(3-ethylhexylthio)phenyl]-1-methyl-5-phenyl-4-pyridone Formula: C26H31NOS MolecularWeight: 405.59544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCSC1=CC=CC=C1C2=CN(C=C(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCC(CC)CCSC1=CC=CC=C1C2=CN(C=C(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H31NOS/c1-4-11-20(5-2)16-17-29-25-15-10-9-14-22(25)24-19-27(3)18-23(26(24)28)21-12-7-6-8-13-21/h6-10,12-15,18-20H,4-5,11,16-17H2,1-3H3