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

Systemtic Name: 5-phenyl-2-[(4-pyridin-4-ylcarbonylphenyl)sulfanylmethyl]pentanoic acid Openeye Name: 5-phenyl-2-[[4-(pyridine-4-carbonyl)phenyl]sulfanylmethyl]pentanoic acid CAS Name: 2-[[[4-[oxo(pyridin-4-yl)methyl]phenyl]thio]methyl]-5-phenylpentanoic acid IUPAC Name: 5-phenyl-2-[[4-(pyridine-4-carbonyl)phenyl]sulfanylmethyl]pentanoic acid Traditional Name: 2-[[(4-isonicotinoylphenyl)thio]methyl]-5-phenyl-valeric acid Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CSC2=CC=C(C=C2)C(=O)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CSC2=CC=C(C=C2)C(=O)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C24H23NO3S/c26-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)29-17-21(24(27)28)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21H,4,7-8,17H2,(H,27,28)