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

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]decanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]decanamide CAS Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]decanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]decanamide Traditional Name: N-[1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]capramide Formula: C28H38N4OS MolecularWeight: 478.69252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C28H38N4OS/c1-4-5-6-7-8-9-13-16-26(33)29-23(3)27-30-31-28(34-21-24-14-11-10-12-15-24)32(27)25-19-17-22(2)18-20-25/h10-12,14-15,17-20,23H,4-9,13,16,21H2,1-3H3,(H,29,33)