N-[(4-methylsulfanylphenyl)methyl]isoquinolin-5-amine

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]isoquinolin-5-amine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]isoquinolin-5-amine CAS Name: N-[[4-(methylthio)phenyl]methyl]-5-isoquinolinamine IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]isoquinolin-5-amine Traditional Name: 5-isoquinolyl-[4-(methylthio)benzyl]amine Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H16N2S/c1-20-15-7-5-13(6-8-15)11-19-17-4-2-3-14-12-18-10-9-16(14)17/h2-10,12,19H,11H2,1H3