N-methyl-4-pyridin-4-ylsulfanyl-isoquinolin-1-amine

Systemtic Name: N-methyl-4-pyridin-4-ylsulfanyl-isoquinolin-1-amine Openeye Name: N-methyl-4-(4-pyridylsulfanyl)isoquinolin-1-amine CAS Name: N-methyl-4-(pyridin-4-ylthio)-1-isoquinolinamine IUPAC Name: N-methyl-4-pyridin-4-ylsulfanylisoquinolin-1-amine Traditional Name: methyl-[4-(4-pyridylthio)-1-isoquinolyl]amine Formula: C15H13N3S MolecularWeight: 267.34882

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C(C2=CC=CC=C21)SC3=CC=NC=C3

Isomeric SMILES

CNC1=NC=C(C2=CC=CC=C21)SC3=CC=NC=C3

InChI

InChI=1S/C15H13N3S/c1-16-15-13-5-3-2-4-12(13)14(10-18-15)19-11-6-8-17-9-7-11/h2-10H,1H3,(H,16,18)