2-(1,3-benzothiazol-2-yl)-4-ethyl-3-oxidanylidene-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridin-6-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-3-oxidanylidene-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridin-6-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-3-oxo-5-(2-pyridylmethyl)pyrazolo[4,3-c]pyridin-6-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-3-oxo-5-(2-pyridinylmethyl)-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-3-oxo-5-(pyridin-2-ylmethyl)pyrazolo[4,3-c]pyridin-6-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-3-keto-5-(2-pyridylmethyl)pyrazolo[4,3-c]pyridin-6-olate Formula: C21H16N5O2S- MolecularWeight: 402.44904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CC=N5)[O-]

Isomeric SMILES

CCC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CC=N5)[O-]

InChI

InChI=1S/C21H17N5O2S/c1-2-16-19-15(11-18(27)25(16)12-13-7-5-6-10-22-13)24-26(20(19)28)21-23-14-8-3-4-9-17(14)29-21/h3-11,27H,2,12H2,1H3/p-1