5-(2-pyridin-3-ylethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-(2-pyridin-3-ylethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[2-(3-pyridyl)ethyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[2-(3-pyridinyl)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-(2-pyridin-3-ylethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[2-(3-pyridyl)ethyl]-2-thioxo-1H-pyrimidin-4-one Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC2=CNC(=S)NC2=O

Isomeric SMILES

C1=CC(=CN=C1)CCC2=CNC(=S)NC2=O

InChI

InChI=1S/C11H11N3OS/c15-10-9(7-13-11(16)14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,3-4H2,(H2,13,14,15,16)