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

Systemtic Name: 2-fluoranyl-N-[[5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(3-anilino-3-oxo-propyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-[(3-anilino-3-oxopropyl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-allyl-5-[(3-anilino-3-keto-propyl)thio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN5O2S/c1-2-13-28-19(15-24-21(30)17-10-6-7-11-18(17)23)26-27-22(28)31-14-12-20(29)25-16-8-4-3-5-9-16/h2-11H,1,12-15H2,(H,24,30)(H,25,29)