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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(2-pyridylsulfanylmethyl)pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[(2-pyridinylthio)methyl]-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(pyridin-2-ylsulfanylmethyl)pyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(2-pyridylthio)methyl]pyrazol-3-olate Formula: C16H11N4OS2- MolecularWeight: 339.41474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=CC(=N3)CSC4=CC=CC=N4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=CC(=N3)CSC4=CC=CC=N4)[O-]

InChI

InChI=1S/C16H12N4OS2/c21-15-9-11(10-22-14-7-3-4-8-17-14)19-20(15)16-18-12-5-1-2-6-13(12)23-16/h1-9,21H,10H2/p-1