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

Systemtic Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzonitrile Formula: C19H13N5S MolecularWeight: 343.40502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H13N5S/c20-10-14-5-4-6-15(9-14)12-25-19-17-11-23-24(18(17)21-13-22-19)16-7-2-1-3-8-16/h1-9,11,13H,12H2