2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C24H19ClF3N5OS MolecularWeight: 517.95377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)CNC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)CNC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClF3N5OS/c25-16-10-12-17(13-11-16)29-14-21-31-32-23(33(21)18-6-2-1-3-7-18)35-15-22(34)30-20-9-5-4-8-19(20)24(26,27)28/h1-13,29H,14-15H2,(H,30,34)