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

Systemtic Name: 4-[2-(3-methyl-2-pyridin-3-yl-indol-1-yl)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-[3-methyl-2-(3-pyridyl)indol-1-yl]ethylsulfanyl]benzoic acid CAS Name: 4-[2-[3-methyl-2-(3-pyridinyl)-1-indolyl]ethylthio]benzoic acid IUPAC Name: 4-[2-(3-methyl-2-pyridin-3-ylindol-1-yl)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-[3-methyl-2-(3-pyridyl)indol-1-yl]ethylthio]benzoic acid Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CCSC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CCSC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C23H20N2O2S/c1-16-20-6-2-3-7-21(20)25(22(16)18-5-4-12-24-15-18)13-14-28-19-10-8-17(9-11-19)23(26)27/h2-12,15H,13-14H2,1H3,(H,26,27)