2-methylpropyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate Openeye Name: isobutyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4,5-diphenyl-1H-imidazol-2-yl)thio]propoxy]benzoic acid isobutyl ester Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3S/c1-21(2)20-34-28(32)24-14-16-25(17-15-24)33-18-9-19-35-29-30-26(22-10-5-3-6-11-22)27(31-29)23-12-7-4-8-13-23/h3-8,10-17,21H,9,18-20H2,1-2H3,(H,30,31)