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

Systemtic Name: 2-methylpropyl 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynoxy]benzoate Openeye Name: isobutyl 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynoxy]benzoate CAS Name: 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)thio]but-2-ynoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynoxy]benzoate Traditional Name: 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)thio]but-2-ynoxy]benzoic acid isobutyl ester Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCC#CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCC#CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H28N2O3S/c1-22(2)21-35-29(33)25-15-17-26(18-16-25)34-19-9-10-20-36-30-31-27(23-11-5-3-6-12-23)28(32-30)24-13-7-4-8-14-24/h3-8,11-18,22H,19-21H2,1-2H3,(H,31,32)