3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoranyl-4-octyl-phenyl)-1-methoxy-pyridine-4-thione

Systemtic Name: 3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoranyl-4-octyl-phenyl)-1-methoxy-pyridine-4-thione Openeye Name: 3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoro-4-octyl-phenyl)-1-methoxy-pyridine-4-thione CAS Name: 3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoro-4-octylphenyl)-1-methoxy-4-pyridinethione IUPAC Name: 3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoro-4-octylphenyl)-1-methoxypyridine-4-thione Traditional Name: 3-[4-(2-chloroethylsulfonyl)phenyl]-5-(3-fluoro-4-octyl-phenyl)-1-methoxy-pyridine-4-thione Formula: C28H33ClFNO3S2 MolecularWeight: 550.147923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)(=O)CCCl)OC)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=CN(C=C(C2=S)C3=CC=C(C=C3)S(=O)(=O)CCCl)OC)F

InChI

InChI=1S/C28H33ClFNO3S2/c1-3-4-5-6-7-8-9-22-10-11-23(18-27(22)30)26-20-31(34-2)19-25(28(26)35)21-12-14-24(15-13-21)36(32,33)17-16-29/h10-15,18-20H,3-9,16-17H2,1-2H3