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

Systemtic Name: 2-[5-(1,3-benzothiazol-2-yl)-2-phenylmethoxy-pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzothiazol-2-yl)-2-benzyloxy-pyrimidin-4-yl]acetonitrile CAS Name: 2-[5-(1,3-benzothiazol-2-yl)-2-phenylmethoxy-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzothiazol-2-yl)-2-phenylmethoxypyrimidin-4-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzothiazol-2-yl)-2-benzoxy-pyrimidin-4-yl]acetonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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