3-(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)-3-oxidanylidene-2-quinolin-2-yl-propanenitrile

Systemtic Name: 3-(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)-3-oxidanylidene-2-quinolin-2-yl-propanenitrile Openeye Name: 3-(5-bromo-2-methylsulfanyl-pyrimidin-4-yl)-3-oxo-2-(2-quinolyl)propanenitrile CAS Name: 3-[5-bromo-2-(methylthio)-4-pyrimidinyl]-3-oxo-2-(2-quinolinyl)propanenitrile IUPAC Name: 3-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile Traditional Name: 3-[5-bromo-2-(methylthio)pyrimidin-4-yl]-3-keto-2-(2-quinolyl)propionitrile Formula: C17H11BrN4OS MolecularWeight: 399.26444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C17H11BrN4OS/c1-24-17-20-9-12(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