1-[6-iodanyl-5-(pyridin-4-ylmethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[6-iodanyl-5-(pyridin-4-ylmethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[6-iodo-5-(4-pyridylmethylsulfanyl)indolin-1-yl]ethanone CAS Name: 1-[6-iodo-5-(pyridin-4-ylmethylthio)-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[6-iodo-5-(pyridin-4-ylmethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[6-iodo-5-(4-pyridylmethylthio)indolin-1-yl]ethanone Formula: C16H15IN2OS MolecularWeight: 410.27257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C21)I)SCC3=CC=NC=C3

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C21)I)SCC3=CC=NC=C3

InChI

InChI=1S/C16H15IN2OS/c1-11(20)19-7-4-13-8-16(14(17)9-15(13)19)21-10-12-2-5-18-6-3-12/h2-3,5-6,8-9H,4,7,10H2,1H3