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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(2-phenylmethoxypyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(2-benzyloxypyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(2-phenylmethoxy-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(2-phenylmethoxypyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2-benzoxypyrimidin-4-yl)acetonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H14N4OS/c21-12-15(19-23-17-8-4-5-9-18(17)26-19)16-10-11-22-20(24-16)25-13-14-6-2-1-3-7-14/h1-11,15H,13H2