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