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4-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethylsulfanyl]benzoic acid hydrochloride

4-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethylsulfanyl]benzoic acid hydrochloride

Systemtic Name:4-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethylsulfanyl]benzoic acid hydrochloride
Openeye Name:4-[2-[2-(3-pyridyl)-1H-indol-3-yl]ethylsulfanyl]benzoic acid hydrochloride
CAS Name:4-[2-[2-(3-pyridinyl)-1H-indol-3-yl]ethylthio]benzoic acid hydrochloride
IUPAC Name:4-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethylsulfanyl]benzoic acid hydrochloride
Traditional Name:4-[2-[2-(3-pyridyl)-1H-indol-3-yl]ethylthio]benzoic acid hydrochloride
Formula: C22H19ClN2O2S
MolecularWeight: 410.91646
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)CCSC4=CC=C(C=C4)C(=O)O.Cl


Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)CCSC4=CC=C(C=C4)C(=O)O.Cl


InChI

InChI=1S/C22H18N2O2S.ClH/c25-22(26)15-7-9-17(10-8-15)27-13-11-19-18-5-1-2-6-20(18)24-21(19)16-4-3-12-23-14-16;/h1-10,12,14,24H,11,13H2,(H,25,26);1H


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