4-pyridin-4-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-1-amine

Systemtic Name: 4-pyridin-4-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-1-amine Openeye Name: 4-(4-pyridylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-1-amine CAS Name: 4-(pyridin-4-ylthio)-N-[[4-(trifluoromethyl)phenyl]methyl]-1-isoquinolinamine IUPAC Name: 4-pyridin-4-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoquinolin-1-amine Traditional Name: [4-(4-pyridylthio)-1-isoquinolyl]-[4-(trifluoromethyl)benzyl]amine Formula: C22H16F3N3S MolecularWeight: 411.44275

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2NCC3=CC=C(C=C3)C(F)(F)F)SC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2NCC3=CC=C(C=C3)C(F)(F)F)SC4=CC=NC=C4

InChI

InChI=1S/C22H16F3N3S/c23-22(24,25)16-7-5-15(6-8-16)13-27-21-19-4-2-1-3-18(19)20(14-28-21)29-17-9-11-26-12-10-17/h1-12,14H,13H2,(H,27,28)