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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[5-chloro-2-(methylthio)-4-pyrimidinyl]-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[5-chloro-2-(methylthio)pyrimidin-4-yl]-3-keto-propionitrile Formula: C15H9ClN4OS2 MolecularWeight: 360.84116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H9ClN4OS2/c1-22-15-18-7-9(16)12(20-15)13(21)8(6-17)14-19-10-4-2-3-5-11(10)23-14/h2-5,7-8H,1H3