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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-propylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-propyl-pyrazol-3-olate Formula: C13H12N3OS- MolecularWeight: 258.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NN(C(=C1)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H13N3OS/c1-2-5-9-8-12(17)16(15-9)13-14-10-6-3-4-7-11(10)18-13/h3-4,6-8,17H,2,5H2,1H3/p-1