2-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(2-oxo-1-imidazolidinyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(2-ketoimidazolidin-1-yl)ethylthio]nicotinic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C11H13N3O3S/c15-10(16)8-2-1-3-12-9(8)18-7-6-14-5-4-13-11(14)17/h1-3H,4-7H2,(H,13,17)(H,15,16)