N-(2-ethanoyl-2,3-dihydro-1H-indol-6-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-ethanoyl-2,3-dihydro-1H-indol-6-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2-acetylindolin-6-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2-acetyl-2,3-dihydro-1H-indol-6-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-acetyl-2,3-dihydro-1H-indol-6-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2-acetylindolin-6-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2=C(N1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

CC(=O)C1CC2=C(N1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

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