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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-5-phenethyl-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-phenethyl-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-phenethyl-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-phenethylpyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-3-keto-4-methyl-5-phenethyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C22H17N4NaO2S MolecularWeight: 424.45075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC5=CC=CC=C5)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCC5=CC=CC=C5)[O-].[Na+]

InChI

InChI=1S/C22H18N4O2S.Na/c1-14-20-17(13-19(27)25(14)12-11-15-7-3-2-4-8-15)24-26(21(20)28)22-23-16-9-5-6-10-18(16)29-22;/h2-10,13,27H,11-12H2,1H3;/q;+1/p-1