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

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]nonanamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]nonanamide CAS Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]nonanamide IUPAC Name: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]nonanamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]pelargonamide Formula: C28H38N4OS MolecularWeight: 478.69252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4OS/c1-5-6-7-8-9-10-14-26(33)29-23(4)27-30-31-28(32(27)25-17-15-21(2)16-18-25)34-20-24-13-11-12-22(3)19-24/h11-13,15-19,23H,5-10,14,20H2,1-4H3,(H,29,33)