S-(6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate

Systemtic Name: S-(6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate Openeye Name: S-(6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) ester IUPAC Name: S-(6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(6-thioxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-yl) ester Formula: C12H8N4OS2 MolecularWeight: 288.34812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=NC(=S)N=C3C2=CNN3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=NC(=S)N=C3C2=CNN3

InChI

InChI=1S/C12H8N4OS2/c17-11(7-4-2-1-3-5-7)19-10-8-6-13-16-9(8)14-12(18)15-10/h1-6H,(H2,13,14,15,16,18)