5-[1,1-bis(oxidanylidene)thian-4-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-[1,1-bis(oxidanylidene)thian-4-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-(1,1-dioxothian-4-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-(1,1-dioxo-4-thianyl)-3-phenyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-(1,1-dioxothian-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-(1,1-diketothian-4-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H16N3O3S- MolecularWeight: 342.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1C2=NC3=C(C=NN3C(=C2)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CCC1C2=NC3=C(C=NN3C(=C2)[O-])C4=CC=CC=C4

InChI

InChI=1S/C17H17N3O3S/c21-16-10-15(13-6-8-24(22,23)9-7-13)19-17-14(11-18-20(16)17)12-4-2-1-3-5-12/h1-5,10-11,13,21H,6-9H2/p-1