2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methyleneamino]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-[2-(trifluoromethyl)benzylidene]amino]acetamide Formula: C25H19ClF3N5OS MolecularWeight: 529.96447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H19ClF3N5OS/c1-16-6-8-17(9-7-16)23-32-33-24(34(23)20-12-10-19(26)11-13-20)36-15-22(35)31-30-14-18-4-2-3-5-21(18)25(27,28)29/h2-14H,15H2,1H3,(H,31,35)/b30-14+