2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetonitrile CAS Name: 2-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetonitrile Formula: C13H8ClN5S MolecularWeight: 301.75412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=NC=N3)SCC#N

InChI

InChI=1S/C13H8ClN5S/c14-9-2-1-3-10(6-9)19-12-11(7-18-19)13(17-8-16-12)20-5-4-15/h1-3,6-8H,5H2