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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4,5-dimethyl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-3-keto-4,5-dimethyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C15H11N4NaO2S MolecularWeight: 334.32821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1C)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1C)[O-].[Na+]

InChI

InChI=1S/C15H12N4O2S.Na/c1-8-13-10(7-12(20)18(8)2)17-19(14(13)21)15-16-9-5-3-4-6-11(9)22-15;/h3-7,20H,1-2H3;/q;+1/p-1