2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22FN5OS/c1-3-26-18(12-22-16-8-4-14(2)5-9-16)24-25-20(26)28-13-19(27)23-17-10-6-15(21)7-11-17/h4-11,22H,3,12-13H2,1-2H3,(H,23,27)