sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-oxidanylidene-1H-quinolin-2-yl)pyrazol-3-olate

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-oxidanylidene-1H-quinolin-2-yl)pyrazol-3-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-oxo-1H-quinolin-2-yl)pyrazol-3-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-oxo-1H-quinolin-2-yl)-3-pyrazololate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-oxo-1H-quinolin-2-yl)pyrazol-3-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-4-(4-keto-1H-quinolin-2-yl)-5-methyl-pyrazol-3-olate Formula: C20H13N4NaO2S MolecularWeight: 396.39759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC(=O)C3=CC=CC=C3N2)[O-])C4=NC5=CC=CC=C5S4.[Na+]

Isomeric SMILES

CC1=NN(C(=C1C2=CC(=O)C3=CC=CC=C3N2)[O-])C4=NC5=CC=CC=C5S4.[Na+]

InChI

InChI=1S/C20H14N4O2S.Na/c1-11-18(15-10-16(25)12-6-2-3-7-13(12)21-15)19(26)24(23-11)20-22-14-8-4-5-9-17(14)27-20;/h2-10,26H,1H3,(H,21,25);/q;+1/p-1