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

Systemtic Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoic acid Openeye Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoic acid CAS Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]benzoic acid IUPAC Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]benzoic acid Traditional Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]benzoic acid Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCOC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCCCOC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c30-26(31)22-14-16-23(17-15-22)32-18-8-3-9-19-33-27-28-24(20-10-4-1-5-11-20)25(29-27)21-12-6-2-7-13-21/h1-2,4-7,10-17H,3,8-9,18-19H2,(H,28,29)(H,30,31)