2-prop-2-ynylsulfanylpyridine-3-carboxylate

Systemtic Name: 2-prop-2-ynylsulfanylpyridine-3-carboxylate Openeye Name: 2-prop-2-ynylsulfanylpyridine-3-carboxylate CAS Name: 2-(prop-2-ynylthio)-3-pyridinecarboxylate IUPAC Name: 2-prop-2-ynylsulfanylpyridine-3-carboxylate Traditional Name: 2-(propargylthio)nicotinate Formula: C9H6NO2S- MolecularWeight: 192.21444

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

C#CCSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C9H7NO2S/c1-2-6-13-8-7(9(11)12)4-3-5-10-8/h1,3-5H,6H2,(H,11,12)/p-1