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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-2-yl-ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-2-yl-acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylacetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2-pyrimidyl)acetonitrile Formula: C13H8N4S MolecularWeight: 252.29442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC=CC=N3

InChI

InChI=1S/C13H8N4S/c14-8-9(12-15-6-3-7-16-12)13-17-10-4-1-2-5-11(10)18-13/h1-7,9H