N-[2-[4-ethyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-ethyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[5-(3-anilino-3-oxo-propyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[5-[(3-anilino-3-oxopropyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[5-(3-anilino-3-oxopropyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[5-[(3-anilino-3-keto-propyl)thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN5O2S/c1-2-28-19(12-14-24-21(30)17-10-6-7-11-18(17)23)26-27-22(28)31-15-13-20(29)25-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,24,30)(H,25,29)