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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-ethyl-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[4-ethyl-5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-ethyl-5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-ethyl-5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-ethyl-5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]acetamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H24FN5O2S/c1-4-28-19(12-20(29)25-18-8-5-14(2)15(3)11-18)26-27-22(28)31-13-21(30)24-17-9-6-16(23)7-10-17/h5-11H,4,12-13H2,1-3H3,(H,24,30)(H,25,29)