5-phenyl-2-(pyridin-4-ylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(pyridin-4-ylsulfanylmethyl)pentanoic acid Openeye Name: 5-phenyl-2-(4-pyridylsulfanylmethyl)pentanoic acid CAS Name: 5-phenyl-2-[(pyridin-4-ylthio)methyl]pentanoic acid IUPAC Name: 5-phenyl-2-(pyridin-4-ylsulfanylmethyl)pentanoic acid Traditional Name: 5-phenyl-2-[(4-pyridylthio)methyl]valeric acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2S/c19-17(20)15(13-21-16-9-11-18-12-10-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,15H,4,7-8,13H2,(H,19,20)