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5-isothiocyanato-3-octyl-isoquinoline

5-isothiocyanato-3-octyl-isoquinoline

Systemtic Name:5-isothiocyanato-3-octyl-isoquinoline
Openeye Name:5-isothiocyanato-3-octyl-isoquinoline
CAS Name:5-isothiocyanato-3-octylisoquinoline
IUPAC Name:5-isothiocyanato-3-octylisoquinoline
Traditional Name:5-isothiocyanato-3-octyl-isoquinoline
Formula: C18H22N2S
MolecularWeight: 298.44568
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C2C=CC=C(C2=C1)N=C=S


Isomeric SMILES

CCCCCCCCC1=NC=C2C=CC=C(C2=C1)N=C=S


InChI

InChI=1S/C18H22N2S/c1-2-3-4-5-6-7-10-16-12-17-15(13-19-16)9-8-11-18(17)20-14-21/h8-9,11-13H,2-7,10H2,1H3


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