1-(3-chlorophenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(3-chlorophenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(3-chlorophenyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(3-chlorophenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 1-(3-chlorophenyl)-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(3-chlorophenyl)-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C11H6ClN4OS- MolecularWeight: 277.70954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C3=NC(=S)N=C(C3=CN2)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C3=NC(=S)N=C(C3=CN2)[O-]

InChI

InChI=1S/C11H7ClN4OS/c12-6-2-1-3-7(4-6)16-9-8(5-13-16)10(17)15-11(18)14-9/h1-5,13H,(H,15,17,18)/p-1