2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-[1-(3-pyridyl)indol-3-yl]propylsulfanyl]acetic acid CAS Name: 2-[3-[1-(3-pyridinyl)-3-indolyl]propylthio]acetic acid IUPAC Name: 2-[3-(1-pyridin-3-ylindol-3-yl)propylsulfanyl]acetic acid Traditional Name: 2-[3-[1-(3-pyridyl)indol-3-yl]propylthio]acetic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C3=CN=CC=C3)CCCSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C3=CN=CC=C3)CCCSCC(=O)O

InChI

InChI=1S/C18H18N2O2S/c21-18(22)13-23-10-4-5-14-12-20(15-6-3-9-19-11-15)17-8-2-1-7-16(14)17/h1-3,6-9,11-12H,4-5,10,13H2,(H,21,22)