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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylpropyl)-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-isobutyl-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylpropyl)-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylpropyl)-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-isobutyl-3-keto-4-methyl-pyrazolo[4,3-c]pyridin-6-olate Formula: C18H17N4NaO2S MolecularWeight: 376.40795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC(C)C)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC(C)C)[O-].[Na+]

InChI

InChI=1S/C18H18N4O2S.Na/c1-10(2)9-21-11(3)16-13(8-15(21)23)20-22(17(16)24)18-19-12-6-4-5-7-14(12)25-18;/h4-8,10,23H,9H2,1-3H3;/q;+1/p-1