2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-4-methyl-6-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)hexanamide Formula: C25H30ClFN4OS MolecularWeight: 489.048303

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(CC(C)CCC2=CC=CC=C2)SCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)CCC2=CC=CC=C2)SCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C25H30ClFN4OS/c1-3-13-31(25-28-17-29-30-25)24(32)23(33-16-20-11-12-21(27)15-22(20)26)14-18(2)9-10-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23H,3,9-10,13-14,16H2,1-2H3,(H,28,29,30)