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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]decanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]decanamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]decanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]decanamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]capramide Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4OS/c1-3-4-5-6-7-8-12-15-26(32)28-20-25-29-30-27(33-21-23-13-10-9-11-14-23)31(25)24-18-16-22(2)17-19-24/h9-11,13-14,16-19H,3-8,12,15,20-21H2,1-2H3,(H,28,32)