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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)CCNC(=O)C3=CC=CC=C3F

InChI

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