2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-mesyl-pyrimidin-4-yl)-3-keto-propionitrile Formula: C15H9ClN4O3S2 MolecularWeight: 392.83996

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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=C3S2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H9ClN4O3S2/c1-25(22,23)15-18-7-9(16)12(20-15)13(21)8(6-17)14-19-10-4-2-3-5-11(10)24-14/h2-5,7-8H,1H3