N-[2-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]ethyl]-3-(phenylthio)propionamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O2S/c22-17-8-6-16(7-9-17)19-10-11-21(27)25(24-19)14-13-23-20(26)12-15-28-18-4-2-1-3-5-18/h1-11H,12-15H2,(H,23,26)