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

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

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