2-[[1-(3-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[1-(3-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanenitrile Openeye Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanenitrile CAS Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propanenitrile IUPAC Name: 2-[[1-(3-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanenitrile Traditional Name: 2-[[1-(3-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propionitrile Formula: C14H10ClN5OS MolecularWeight: 331.7801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C#N)SC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H10ClN5OS/c1-8(6-16)22-14-18-12-11(13(21)19-14)7-17-20(12)10-4-2-3-9(15)5-10/h2-5,7-8,17H,1H3