2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4H-pyrimidin-3-yl)acetonitrile Formula: C13H10N4S MolecularWeight: 254.3103

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN=CN1C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C=CN=CN1C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4S/c14-8-11(17-7-3-6-15-9-17)13-16-10-4-1-2-5-12(10)18-13/h1-6,9,11H,7H2