N-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1-acetylindolin-5-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1-acetylindolin-5-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C22H20N4O2S/c1-15(27)26-12-8-17-13-18(4-5-20(17)26)25-21(28)19-3-2-9-24-22(19)29-14-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,25,28)