1-(1-phenylsulfanylbutyl)isoquinoline

Systemtic Name: 1-(1-phenylsulfanylbutyl)isoquinoline Openeye Name: 1-(1-phenylsulfanylbutyl)isoquinoline CAS Name: 1-[1-(phenylthio)butyl]isoquinoline IUPAC Name: 1-(1-phenylsulfanylbutyl)isoquinoline Traditional Name: 1-[1-(phenylthio)butyl]isoquinoline Formula: C19H19NS MolecularWeight: 293.42586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=CC2=CC=CC=C21)SC3=CC=CC=C3

Isomeric SMILES

CCCC(C1=NC=CC2=CC=CC=C21)SC3=CC=CC=C3

InChI

InChI=1S/C19H19NS/c1-2-8-18(21-16-10-4-3-5-11-16)19-17-12-7-6-9-15(17)13-14-20-19/h3-7,9-14,18H,2,8H2,1H3