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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-pyridyl)propoxy]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-pyridinyl)propoxy]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[3-(2-pyridyl)propoxy]pyrimidin-4-yl]acetonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCCCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCCCC4=CC=CC=N4

InChI

InChI=1S/C21H17N5OS/c22-14-16(20-25-18-8-1-2-9-19(18)28-20)17-10-12-24-21(26-17)27-13-5-7-15-6-3-4-11-23-15/h1-4,6,8-12,16H,5,7,13H2