2-methylpropyl 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]octoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]octoxy]benzoate Openeye Name: isobutyl 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]octoxy]benzoate CAS Name: 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)thio]octoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]octoxy]benzoate Traditional Name: 4-[8-[(4,5-diphenyl-1H-imidazol-2-yl)thio]octoxy]benzoic acid isobutyl ester Formula: C34H40N2O3S MolecularWeight: 556.758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCCCCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCCCCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H40N2O3S/c1-26(2)25-39-33(37)29-19-21-30(22-20-29)38-23-13-5-3-4-6-14-24-40-34-35-31(27-15-9-7-10-16-27)32(36-34)28-17-11-8-12-18-28/h7-12,15-22,26H,3-6,13-14,23-25H2,1-2H3,(H,35,36)