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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]dodecanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]dodecanamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]dodecanamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]dodecanamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]lauramide Formula: C29H40N4OS MolecularWeight: 492.7191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4OS/c1-3-4-5-6-7-8-9-10-14-17-28(34)30-22-27-31-32-29(35-23-25-15-12-11-13-16-25)33(27)26-20-18-24(2)19-21-26/h11-13,15-16,18-21H,3-10,14,17,22-23H2,1-2H3,(H,30,34)