2-phenyl-2-[(4-pyridin-4-ylcarbonylphenyl)sulfanylmethyl]pentanoic acid

Systemtic Name: 2-phenyl-2-[(4-pyridin-4-ylcarbonylphenyl)sulfanylmethyl]pentanoic acid Openeye Name: 2-phenyl-2-[[4-(pyridine-4-carbonyl)phenyl]sulfanylmethyl]pentanoic acid CAS Name: 2-[[[4-[oxo(pyridin-4-yl)methyl]phenyl]thio]methyl]-2-phenylpentanoic acid IUPAC Name: 2-phenyl-2-[[4-(pyridine-4-carbonyl)phenyl]sulfanylmethyl]pentanoic acid Traditional Name: 2-[[(4-isonicotinoylphenyl)thio]methyl]-2-phenyl-valeric acid Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CSC1=CC=C(C=C1)C(=O)C2=CC=NC=C2)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(CSC1=CC=C(C=C1)C(=O)C2=CC=NC=C2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H23NO3S/c1-2-14-24(23(27)28,20-6-4-3-5-7-20)17-29-21-10-8-18(9-11-21)22(26)19-12-15-25-16-13-19/h3-13,15-16H,2,14,17H2,1H3,(H,27,28)