4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-cyano-4-phenyl-1-pyrindan-2-yl)thio]methyl]benzoic acid Formula: C23H18N2O2S MolecularWeight: 386.46622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18N2O2S/c24-13-19-21(16-5-2-1-3-6-16)18-7-4-8-20(18)25-22(19)28-14-15-9-11-17(12-10-15)23(26)27/h1-3,5-6,9-12H,4,7-8,14H2,(H,26,27)