1-phenyl-3-(4-propylsulfanylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride

Systemtic Name: 1-phenyl-3-(4-propylsulfanylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride Openeye Name: 1-phenyl-3-(4-propylsulfanylbutyl)-3-(4-pyridylmethyl)indolin-2-one hydrochloride CAS Name: 1-phenyl-3-[4-(propylthio)butyl]-3-(pyridin-4-ylmethyl)-2-indolone hydrochloride IUPAC Name: 1-phenyl-3-(4-propylsulfanylbutyl)-3-(pyridin-4-ylmethyl)indol-2-one hydrochloride Traditional Name: 1-phenyl-3-[4-(propylthio)butyl]-3-(4-pyridylmethyl)oxindole hydrochloride Formula: C27H31ClN2OS MolecularWeight: 467.06584

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

Isomeric SMILES

CCCSCCCCC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC4=CC=NC=C4.Cl

InChI

InChI=1S/C27H30N2OS.ClH/c1-2-19-31-20-9-8-16-27(21-22-14-17-28-18-15-22)24-12-6-7-13-25(24)29(26(27)30)23-10-4-3-5-11-23;/h3-7,10-15,17-18H,2,8-9,16,19-21H2,1H3;1H