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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H20N4O2S/c1-2-3-14-28-16-8-10-17(11-9-16)29-23-25-13-12-19(27-23)18(15-24)22-26-20-6-4-5-7-21(20)30-22/h4-13,18H,2-3,14H2,1H3