7-(4-chlorophenyl)-2-pyridin-4-ylsulfanyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-pyridin-4-ylsulfanyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(4-pyridylsulfanyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(pyridin-4-ylthio)heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-pyridin-4-ylsulfanylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(4-pyridylthio)enanthic acid Formula: C18H20ClNO2S MolecularWeight: 349.8749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCC(C(=O)O)SC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCCCC(C(=O)O)SC2=CC=NC=C2)Cl

InChI

InChI=1S/C18H20ClNO2S/c19-15-8-6-14(7-9-15)4-2-1-3-5-17(18(21)22)23-16-10-12-20-13-11-16/h6-13,17H,1-5H2,(H,21,22)