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

Systemtic Name: N-[[4-ethyl-5-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(p-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2S/c1-3-27-18(12-23-20(29)15-6-8-16(22)9-7-15)25-26-21(27)30-13-19(28)24-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)