2-(3H-1,3-benzothiazol-2-ylidene)-2-(5-fluoranyl-2-methylsulfanyl-pyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(5-fluoranyl-2-methylsulfanyl-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(5-fluoro-2-methylsulfanyl-pyrimidin-4-yl)acetonitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-[5-fluoro-2-(methylthio)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)acetonitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-[5-fluoro-2-(methylthio)pyrimidin-4-yl]acetonitrile Formula: C14H9FN4S2 MolecularWeight: 316.376463

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=C2NC3=CC=CC=C3S2)C#N)F

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=C2NC3=CC=CC=C3S2)C#N)F

InChI

InChI=1S/C14H9FN4S2/c1-20-14-17-7-9(15)12(19-14)8(6-16)13-18-10-4-2-3-5-11(10)21-13/h2-5,7,18H,1H3