2-[[5-(2-bromophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(2-bromophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile IUPAC Name: 2-[[5-(2-bromophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-bromophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile Formula: C13H8BrN5OS MolecularWeight: 362.20452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C3=C(NN=C3)N=C2SCC#N)Br

InChI

InChI=1S/C13H8BrN5OS/c14-9-3-1-2-4-10(9)19-12(20)8-7-16-18-11(8)17-13(19)21-6-5-15/h1-4,7H,6H2,(H,16,18)