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

Systemtic Name: N-[[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[5-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[5-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C21H21ClFN5O2S MolecularWeight: 461.940143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN5O2S/c1-3-28-18(11-24-20(30)14-7-9-15(23)10-8-14)26-27-21(28)31-12-19(29)25-17-6-4-5-16(22)13(17)2/h4-10H,3,11-12H2,1-2H3,(H,24,30)(H,25,29)