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5-(azepan-4-ylsulfanyl)isoquinoline

5-(azepan-4-ylsulfanyl)isoquinoline

Systemtic Name:5-(azepan-4-ylsulfanyl)isoquinoline
Openeye Name:5-(azepan-4-ylsulfanyl)isoquinoline
CAS Name:5-(4-azepanylthio)isoquinoline
IUPAC Name:5-(azepan-4-ylsulfanyl)isoquinoline
Traditional Name:5-(azepan-4-ylthio)isoquinoline
Formula: C15H18N2S
MolecularWeight: 258.38182
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)SC2=CC=CC3=C2C=CN=C3


Isomeric SMILES

C1CC(CCNC1)SC2=CC=CC3=C2C=CN=C3


InChI

InChI=1S/C15H18N2S/c1-3-12-11-17-10-7-14(12)15(5-1)18-13-4-2-8-16-9-6-13/h1,3,5,7,10-11,13,16H,2,4,6,8-9H2


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