5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-olate

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-olate Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-olate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrazol-3-olate IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-olate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrazol-3-olate Formula: C11H8N3OS2- MolecularWeight: 262.33072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=NN3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=NN3)[O-]

InChI

InChI=1S/C11H9N3OS2/c15-10-5-7(13-14-10)6-16-11-12-8-3-1-2-4-9(8)17-11/h1-5H,6H2,(H2,13,14,15)/p-1