3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole; decanoic acid

Systemtic Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole; decanoic acid Openeye Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridylsulfanyl)-1H-indole; decanoic acid CAS Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridinylthio)-1H-indole; decanoic acid IUPAC Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-2-ylsulfanyl-1H-indole; decanoic acid Traditional Name: 3-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-(2-pyridylthio)-1H-indole; capric acid Formula: C32H45N3O2S MolecularWeight: 535.7836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CC(C)(C)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=N4

Isomeric SMILES

CCCCCCCCCC(=O)O.CC(C)(C)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=N4

InChI

InChI=1S/C22H25N3S.C10H20O2/c1-22(2,3)25-12-9-16(10-13-25)19-15-24-20-8-7-17(14-18(19)20)26-21-6-4-5-11-23-21;1-2-3-4-5-6-7-8-9-10(11)12/h4-9,11,14-15,24H,10,12-13H2,1-3H3;2-9H2,1H3,(H,11,12)