1-pyridin-2-ylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-pyridin-2-ylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(2-pyridylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-(2-pyridinylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-pyridin-2-ylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(2-pyridylthio)isoquinoline-3-carboxylic acid Formula: C15H10N2O2S MolecularWeight: 282.3171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C15H10N2O2S/c18-15(19)12-9-10-5-1-2-6-11(10)14(17-12)20-13-7-3-4-8-16-13/h1-9H,(H,18,19)