2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethanoate Openeye Name: 2-[[3-cyano-4-(3-pyridyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(3-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio]acetate IUPAC Name: 2-[(3-cyano-4-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(3-pyridyl)-1-pyrindan-2-yl]thio]acetate Formula: C16H12N3O2S- MolecularWeight: 310.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)[O-]

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2C3=CN=CC=C3)C#N)SCC(=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c17-7-12-15(10-3-2-6-18-8-10)11-4-1-5-13(11)19-16(12)22-9-14(20)21/h2-3,6,8H,1,4-5,9H2,(H,20,21)/p-1