2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 2-indan-5-ylsulfanylpyridine-4-carboxylic acid CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid Traditional Name: 2-(indan-5-ylthio)isonicotinic acid Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SC3=NC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SC3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H13NO2S/c17-15(18)12-6-7-16-14(9-12)19-13-5-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,17,18)