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

Systemtic Name: 2-[(5-naphthalen-1-yl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[5-(1-naphthyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(1-naphthalenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile IUPAC Name: 2-[(5-naphthalen-1-yl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetonitrile Formula: C17H11N5OS MolecularWeight: 333.36714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(NN=C4)N=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(NN=C4)N=C3SCC#N

InChI

InChI=1S/C17H11N5OS/c18-8-9-24-17-20-15-13(10-19-21-15)16(23)22(17)14-7-3-5-11-4-1-2-6-12(11)14/h1-7,10H,9H2,(H,19,21)