2-chloranyl-N-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]propanamide

Systemtic Name: 2-chloranyl-N-[[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]propanamide Openeye Name: 2-chloro-N-[[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: 2-chloro-N-[[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]propanamide IUPAC Name: 2-chloro-N-[[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]propanamide Traditional Name: 2-chloro-N-[[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]propionamide Formula: C20H19Cl2FN4OS MolecularWeight: 453.360463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)C(C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)C(C)Cl

InChI

InChI=1S/C20H19Cl2FN4OS/c1-12-3-6-15(22)9-17(12)27-18(10-24-19(28)13(2)21)25-26-20(27)29-11-14-4-7-16(23)8-5-14/h3-9,13H,10-11H2,1-2H3,(H,24,28)