2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(2-phenylpropyl)ethanamide

Systemtic Name: 2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(2-phenylpropyl)ethanamide Openeye Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(2-phenylpropyl)acetamide CAS Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)thio]-N-(2-phenylpropyl)acetamide IUPAC Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(2-phenylpropyl)acetamide Traditional Name: 2-[(8-fluoro-5H-pyridazin[4,5-b]indol-4-yl)thio]-N-(2-phenylpropyl)acetamide Formula: C21H19FN4OS MolecularWeight: 394.465163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=C2C(=CN=N1)C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSC1=C2C(=CN=N1)C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H19FN4OS/c1-13(14-5-3-2-4-6-14)10-23-19(27)12-28-21-20-17(11-24-26-21)16-9-15(22)7-8-18(16)25-20/h2-9,11,13,25H,10,12H2,1H3,(H,23,27)