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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylbutyl)-3-oxidanylidene-pyrazolo[4,3-c]pyridin-6-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylbutyl)-3-oxo-pyrazolo[4,3-c]pyridin-6-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylbutyl)-3-oxo-6-pyrazolo[4,3-c]pyridinolate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylbutyl)-3-oxopyrazolo[4,3-c]pyridin-6-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-3-keto-4-methyl-5-(2-methylbutyl)pyrazolo[4,3-c]pyridin-6-olate Formula: C19H19N4NaO2S MolecularWeight: 390.43453

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1[O-])C.[Na+]

Isomeric SMILES

CCC(C)CN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1[O-])C.[Na+]

InChI

InChI=1S/C19H20N4O2S.Na/c1-4-11(2)10-22-12(3)17-14(9-16(22)24)21-23(18(17)25)19-20-13-7-5-6-8-15(13)26-19;/h5-9,11,24H,4,10H2,1-3H3;/q;+1/p-1