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

Systemtic Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(3-phenylphenyl)methoxy]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(3-phenylphenyl)methoxy]pyrimidin-4-yl]acetonitrile CAS Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(3-phenylphenyl)methoxy]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(3-phenylphenyl)methoxy]pyrimidin-4-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(3-phenylbenzyl)oxy-pyrimidin-4-yl]acetonitrile Formula: C26H18N4OS MolecularWeight: 434.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NC=C(C(=N3)CC#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)COC3=NC=C(C(=N3)CC#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18N4OS/c27-14-13-22-21(25-29-23-11-4-5-12-24(23)32-25)16-28-26(30-22)31-17-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15-16H,13,17H2