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

Systemtic Name: N-[[4-ethyl-5-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C21H22FN5O2S2 MolecularWeight: 459.560083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2S2/c1-3-27-18(12-23-20(29)14-7-9-15(22)10-8-14)25-26-21(27)31-13-19(28)24-16-5-4-6-17(11-16)30-2/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)