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2-[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)sulfanylmethyl]benzoic acid

2-[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name:2-[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)sulfanylmethyl]benzoic acid
Openeye Name:2-[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CAS Name:2-[[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)thio]methyl]benzoic acid
IUPAC Name:2-[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)sulfanylmethyl]benzoic acid
Traditional Name:2-[[(1-phenethyl-6,7-dihydro-5H-cyclopenta[f]benzimidazol-2-yl)thio]methyl]benzoic acid
Formula: C26H24N2O2S
MolecularWeight: 428.54596
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC3=C(C=C2C1)N(C(=N3)SCC4=CC=CC=C4C(=O)O)CCC5=CC=CC=C5


Isomeric SMILES

C1CC2=CC3=C(C=C2C1)N(C(=N3)SCC4=CC=CC=C4C(=O)O)CCC5=CC=CC=C5


InChI

InChI=1S/C26H24N2O2S/c29-25(30)22-12-5-4-9-21(22)17-31-26-27-23-15-19-10-6-11-20(19)16-24(23)28(26)14-13-18-7-2-1-3-8-18/h1-5,7-9,12,15-16H,6,10-11,13-14,17H2,(H,29,30)


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