N-(2-cyanophenyl)-3-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-3-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)thio]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[(8-fluoro-5H-pyridazin[4,5-b]indol-4-yl)thio]propionamide Formula: C20H14FN5OS MolecularWeight: 391.421463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCSC2=C3C(=CN=N2)C4=C(N3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCSC2=C3C(=CN=N2)C4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C20H14FN5OS/c21-13-5-6-17-14(9-13)15-11-23-26-20(19(15)25-17)28-8-7-18(27)24-16-4-2-1-3-12(16)10-22/h1-6,9,11,25H,7-8H2,(H,24,27)