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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]heptanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]heptanamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]heptanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]heptanamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]enanthamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-3-4-5-9-12-23(29)25-17-22-26-27-24(30-18-20-10-7-6-8-11-20)28(22)21-15-13-19(2)14-16-21/h6-8,10-11,13-16H,3-5,9,12,17-18H2,1-2H3,(H,25,29)