2-[5-(1,3-benzothiazol-2-yl)-2-(pyridin-3-ylmethoxy)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(pyridin-3-ylmethoxy)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(3-pyridylmethoxy)pyrimidin-4-yl]acetonitrile CAS Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(3-pyridinylmethoxy)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(pyridin-3-ylmethoxy)pyrimidin-4-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(3-pyridylmethoxy)pyrimidin-4-yl]acetonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CN=C(N=C3CC#N)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CN=C(N=C3CC#N)OCC4=CN=CC=C4

InChI

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