2-but-3-ynylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-but-3-ynylsulfanylpyridine-3-carboxylic acid Openeye Name: 2-but-3-ynylsulfanylpyridine-3-carboxylic acid CAS Name: 2-(but-3-ynylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-but-3-ynylsulfanylpyridine-3-carboxylic acid Traditional Name: 2-(but-3-ynylthio)nicotinic acid Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

C#CCCSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C10H9NO2S/c1-2-3-7-14-9-8(10(12)13)5-4-6-11-9/h1,4-6H,3,7H2,(H,12,13)