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

Systemtic Name: 2-[[4-ethyl-5-[[(4-fluorophenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[4-ethyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4OS/c1-3-25-19(12-22-17-10-8-16(21)9-11-17)23-24-20(25)27-13-18(26)15-6-4-14(2)5-7-15/h4-11,22H,3,12-13H2,1-2H3