2-[4-(pyridin-3-ylmethyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(3-pyridylmethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(3-pyridinylmethyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(pyridin-3-ylmethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(3-pyridylmethyl)phenyl]thio]acetic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC=C(C=C2)SCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC=C(C=C2)SCC(=O)O

InChI

InChI=1S/C14H13NO2S/c16-14(17)10-18-13-5-3-11(4-6-13)8-12-2-1-7-15-9-12/h1-7,9H,8,10H2,(H,16,17)