1-(2,2-diethoxyethylsulfanyl)isoquinoline

Systemtic Name: 1-(2,2-diethoxyethylsulfanyl)isoquinoline Openeye Name: 1-(2,2-diethoxyethylsulfanyl)isoquinoline CAS Name: 1-(2,2-diethoxyethylthio)isoquinoline IUPAC Name: 1-(2,2-diethoxyethylsulfanyl)isoquinoline Traditional Name: 1-(2,2-diethoxyethylthio)isoquinoline Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CSC1=NC=CC2=CC=CC=C21)OCC

Isomeric SMILES

CCOC(CSC1=NC=CC2=CC=CC=C21)OCC

InChI

InChI=1S/C15H19NO2S/c1-3-17-14(18-4-2)11-19-15-13-8-6-5-7-12(13)9-10-16-15/h5-10,14H,3-4,11H2,1-2H3