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

Systemtic Name: 2-methylpropyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoate Openeye Name: isobutyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoate CAS Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoate Traditional Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]benzoic acid isobutyl ester Formula: C31H34N2O3S MolecularWeight: 514.67826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H34N2O3S/c1-23(2)22-36-30(34)26-16-18-27(19-17-26)35-20-10-5-11-21-37-31-32-28(24-12-6-3-7-13-24)29(33-31)25-14-8-4-9-15-25/h3-4,6-9,12-19,23H,5,10-11,20-22H2,1-2H3,(H,32,33)