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

Systemtic Name: N-[[4-ethyl-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C21H22FN5O3S MolecularWeight: 443.494483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O3S/c1-3-27-18(12-23-20(29)16-6-4-5-7-17(16)22)25-26-21(27)31-13-19(28)24-14-8-10-15(30-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)