N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]hexanamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]hexanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]hexanamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]hexanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]hexanamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]hexanamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)NCC1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-3-4-6-11-22(28)24-16-21-25-26-23(29-17-19-9-7-5-8-10-19)27(21)20-14-12-18(2)13-15-20/h5,7-10,12-15H,3-4,6,11,16-17H2,1-2H3,(H,24,28)