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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-3-ylphenyl)methoxy]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(3-pyridyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(3-pyridinyl)phenyl]methoxy]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-3-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[4-(3-pyridyl)benzyl]oxypyrimidin-4-yl]acetonitrile Formula: C25H17N5OS MolecularWeight: 435.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCC4=CC=C(C=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCC4=CC=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H17N5OS/c26-14-20(24-29-22-5-1-2-6-23(22)32-24)21-11-13-28-25(30-21)31-16-17-7-9-18(10-8-17)19-4-3-12-27-15-19/h1-13,15,20H,16H2