1-isoquinolin-8-yl-3-[3-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-isoquinolin-8-yl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-(8-isoquinolyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-(8-isoquinolinyl)-3-[3-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-isoquinolin-8-yl-3-[3-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(8-isoquinolyl)-3-[3-(trifluoromethylthio)phenyl]urea Formula: C17H12F3N3OS MolecularWeight: 363.35689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NC=C2)C(=C1)NC(=O)NC3=CC(=CC=C3)SC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=NC=C2)C(=C1)NC(=O)NC3=CC(=CC=C3)SC(F)(F)F

InChI

InChI=1S/C17H12F3N3OS/c18-17(19,20)25-13-5-2-4-12(9-13)22-16(24)23-15-6-1-3-11-7-8-21-10-14(11)15/h1-10H,(H2,22,23,24)