methyl 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-octylsulfanyl-1H-imidazol-5-yl)methyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[4-[[2-(octylthio)-1H-imidazol-5-yl]methyl]imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C24H32N4O2S MolecularWeight: 440.60148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCSC1=NC=C(N1)CC2=CN(C=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H32N4O2S/c1-3-4-5-6-7-8-13-31-24-25-15-21(27-24)14-22-17-28(18-26-22)16-19-9-11-20(12-10-19)23(29)30-2/h9-12,15,17-18H,3-8,13-14,16H2,1-2H3,(H,25,27)