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

Systemtic Name: 3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-2-quinolin-2-yl-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-3-oxo-2-(2-quinolyl)propanenitrile CAS Name: 3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-3-oxo-2-(2-quinolinyl)propanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile Traditional Name: 3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-2-(2-quinolyl)propionitrile Formula: C17H11ClN4O3S MolecularWeight: 386.81224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C17H11ClN4O3S/c1-26(24,25)17-20-9-12(18)15(22-17)16(23)11(8-19)14-7-6-10-4-2-3-5-13(10)21-14/h2-7,9,11H,1H3