sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-5-(phenylmethyl)pyrazolo[4,3-c]pyridin-6-olate

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-5-(phenylmethyl)pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(phenylmethyl)-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-benzyl-3-keto-4-methyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C21H15N4NaO2S MolecularWeight: 410.42417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CC=C5)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CC=CC=C5)[O-].[Na+]

InChI

InChI=1S/C21H16N4O2S.Na/c1-13-19-16(11-18(26)24(13)12-14-7-3-2-4-8-14)23-25(20(19)27)21-22-15-9-5-6-10-17(15)28-21;/h2-11,26H,12H2,1H3;/q;+1/p-1