N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)F

InChI

InChI=1S/C20H20FN3O2S/c21-17-7-3-1-5-15(17)14-27-12-10-22-20(26)9-11-24-18-8-4-2-6-16(18)19(25)13-23-24/h1-8,13H,9-12,14H2,(H,22,26)