3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-2-(2-pyridyl)propionitrile Formula: C13H9ClN4O3S MolecularWeight: 336.75356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=CC=CC=N2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=CC=CC=N2)Cl

InChI

InChI=1S/C13H9ClN4O3S/c1-22(20,21)13-17-7-9(14)11(18-13)12(19)8(6-15)10-4-2-3-5-16-10/h2-5,7-8H,1H3