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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidyl)acetonitrile Formula: C13H8N4S MolecularWeight: 252.29442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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