3-[4-[(E)-9-bromanylnon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynyl-pyridine-4-thione

Systemtic Name: 3-[4-[(E)-9-bromanylnon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynyl-pyridine-4-thione Openeye Name: 3-[4-[(E)-9-bromonon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynyl-pyridine-4-thione CAS Name: 3-[4-[(E)-9-bromonon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynyl-4-pyridinethione IUPAC Name: 3-[4-[(E)-9-bromonon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynylpyridine-4-thione Traditional Name: 3-[4-[(E)-9-bromonon-4-enyl]sulfinylphenyl]-5-[2-(3-ethylhexyl)phenyl]-1-ethynyl-pyridine-4-thione Formula: C36H44BrNOS2 MolecularWeight: 650.77466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCC1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)CCCC=CCCCCBr)C#C

Isomeric SMILES

CCCC(CC)CCC1=CC=CC=C1C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)CCC/C=C/CCCCBr)C#C

InChI

InChI=1S/C36H44BrNOS2/c1-4-16-29(5-2)19-20-30-17-12-13-18-33(30)35-28-38(6-3)27-34(36(35)40)31-21-23-32(24-22-31)41(39)26-15-11-9-7-8-10-14-25-37/h3,7,9,12-13,17-18,21-24,27-29H,4-5,8,10-11,14-16,19-20,25-26H2,1-2H3/b9-7+