2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridylmethoxy)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridinylmethoxy)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-pyridylmethoxy)pyrimidin-4-yl]acetonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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)OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C19H13N5OS/c20-11-14(18-23-16-6-1-2-7-17(16)26-18)15-8-10-22-19(24-15)25-12-13-5-3-4-9-21-13/h1-10,14H,12H2