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

Systemtic Name: N-[2-[5-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[5-[2-(3,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[5-[[2-(3,4-dichloroanilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C21H20Cl2FN5O2S MolecularWeight: 496.385203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)Cl)CCNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H20Cl2FN5O2S/c1-2-29-18(9-10-25-20(31)14-5-3-4-6-17(14)24)27-28-21(29)32-12-19(30)26-13-7-8-15(22)16(23)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,25,31)(H,26,30)