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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-quinone Formula: C18H17N4NaO2S MolecularWeight: 376.40795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=CC1=O)[N-]N(C2=O)C3=NC4=CC=CC=C4S3)C.[Na+]

Isomeric SMILES

CCCCN1C(=C2C(=CC1=O)[N-]N(C2=O)C3=NC4=CC=CC=C4S3)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;/h5-8,10H,3-4,9H2,1-2H3,(H,20,23);/q;+1/p-1