N-[[4-ethyl-5-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(2-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[[2-(2-isopropylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C23H26FN5O2S MolecularWeight: 455.548243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)C)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FN5O2S/c1-4-29-20(13-25-22(31)16-9-11-17(24)12-10-16)27-28-23(29)32-14-21(30)26-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,31)(H,26,30)