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

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-phenethyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-phenethyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-phenethylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-phenethylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-4-methyl-5-phenethyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-quinone Formula: C22H17N4NaO2S MolecularWeight: 424.45075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CCC3=CC=CC=C3)[N-]N(C2=O)C4=NC5=CC=CC=C5S4.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=O)N1CCC3=CC=CC=C3)[N-]N(C2=O)C4=NC5=CC=CC=C5S4.[Na+]

InChI

InChI=1S/C22H18N4O2S.Na/c1-14-20-17(13-19(27)25(14)12-11-15-7-3-2-4-8-15)24-26(21(20)28)22-23-16-9-5-6-10-18(16)29-22;/h2-10,13H,11-12H2,1H3,(H,24,27);/q;+1/p-1