3-(4-dec-4-ynylsulfanyl-2-methyl-phenyl)-1-ethoxy-5-[3-fluoranyl-5-(trifluoromethyl)phenyl]pyridine-4-thione

Systemtic Name: 3-(4-dec-4-ynylsulfanyl-2-methyl-phenyl)-1-ethoxy-5-[3-fluoranyl-5-(trifluoromethyl)phenyl]pyridine-4-thione Openeye Name: 3-(4-dec-4-ynylsulfanyl-2-methyl-phenyl)-1-ethoxy-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-thione CAS Name: 3-[4-(dec-4-ynylthio)-2-methylphenyl]-1-ethoxy-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyridinethione IUPAC Name: 3-(4-dec-4-ynylsulfanyl-2-methylphenyl)-1-ethoxy-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-thione Traditional Name: 3-[4-(dec-4-ynylthio)-2-methyl-phenyl]-1-ethoxy-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-thione Formula: C31H33F4NOS2 MolecularWeight: 575.723433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCCCSC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)F)C(F)(F)F)OCC)C

Isomeric SMILES

CCCCCC#CCCCSC1=CC(=C(C=C1)C2=CN(C=C(C2=S)C3=CC(=CC(=C3)F)C(F)(F)F)OCC)C

InChI

InChI=1S/C31H33F4NOS2/c1-4-6-7-8-9-10-11-12-15-39-26-13-14-27(22(3)16-26)29-21-36(37-5-2)20-28(30(29)38)23-17-24(31(33,34)35)19-25(32)18-23/h13-14,16-21H,4-8,11-12,15H2,1-3H3