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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-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:

CCCCN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1[O-])C.[Na+]

Isomeric SMILES

CCCCN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1[O-])C.[Na+]

InChI

InChI=1S/C18H18N4O2S.Na/c1-3-4-9-21-11(2)16-13(10-15(21)23)20-22(17(16)24)18-19-12-7-5-6-8-14(12)25-18;/h5-8,10,23H,3-4,9H2,1-2H3;/q;+1/p-1