4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzonitrile CAS Name: 4-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethoxy]benzonitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5OS/c21-12-15-6-8-17(9-7-15)26-10-11-27-20-18-13-24-25(19(18)22-14-23-20)16-4-2-1-3-5-16/h1-9,13-14H,10-11H2