2-(1,3-benzothiazol-2-yl)-2-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[6-chloro-2-(methylthio)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-2-methylsulfanylpyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[6-chloro-2-(methylthio)pyrimidin-4-yl]acetonitrile Formula: C14H9ClN4S2 MolecularWeight: 332.83106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClN4S2/c1-20-14-18-10(6-12(15)19-14)8(7-16)13-17-9-4-2-3-5-11(9)21-13/h2-6,8H,1H3