S-[6-(phenylcarbonylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl] benzenecarbothioate

Systemtic Name: S-[6-(phenylcarbonylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl] benzenecarbothioate Openeye Name: S-(6-benzoylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[6-(benzoylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl] ester IUPAC Name: S-(6-benzoylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[6-(benzoylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl] ester Formula: C19H12N4O2S2 MolecularWeight: 392.45418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=NC(=NC3=C2C=NN3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=NC(=NC3=C2C=NN3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H12N4O2S2/c24-17(12-7-3-1-4-8-12)26-16-14-11-20-23-15(14)21-19(22-16)27-18(25)13-9-5-2-6-10-13/h1-11H,(H,20,21,22,23)