2-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(cyanomethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(cyanomethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(cyanomethylamino)-2-keto-ethyl]thio]nicotinate Formula: C10H8N3O3S- MolecularWeight: 250.25382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NCC#N)C(=O)[O-]

InChI

InChI=1S/C10H9N3O3S/c11-3-5-12-8(14)6-17-9-7(10(15)16)2-1-4-13-9/h1-2,4H,5-6H2,(H,12,14)(H,15,16)/p-1