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

Systemtic Name: N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]nonanamide Openeye Name: N-[[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]nonanamide CAS Name: N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]nonanamide IUPAC Name: N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]nonanamide Traditional Name: N-[[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]pelargonamide Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4OS/c1-4-5-6-7-8-9-13-26(32)28-19-25-29-30-27(31(25)24-16-14-21(2)15-17-24)33-20-23-12-10-11-22(3)18-23/h10-12,14-18H,4-9,13,19-20H2,1-3H3,(H,28,32)