N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]nonanamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]nonanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]nonanamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]nonanamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethyl]nonanamide Traditional Name: N-[1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]ethyl]pelargonamide Formula: C27H35ClN4OS MolecularWeight: 499.111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClN4OS/c1-4-5-6-7-8-12-15-25(33)29-21(3)26-30-31-27(34-19-22-13-10-9-11-14-22)32(26)24-18-23(28)17-16-20(24)2/h9-11,13-14,16-18,21H,4-8,12,15,19H2,1-3H3,(H,29,33)