sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)pyrazol-3-olate

Systemtic Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)pyrazol-3-olate Openeye Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolyl)pyrazol-3-olate CAS Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolinyl)-3-pyrazololate IUPAC Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methylquinolin-2-yl)pyrazol-3-olate Traditional Name: sodium 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-methyl-2-quinolyl)pyrazol-3-olate Formula: C21H15N4NaOS MolecularWeight: 394.42477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3=C(N(N=C3C)C4=NC5=CC=CC=C5S4)[O-].[Na+]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3=C(N(N=C3C)C4=NC5=CC=CC=C5S4)[O-].[Na+]

InChI

InChI=1S/C21H16N4OS.Na/c1-12-11-17(22-15-8-4-3-7-14(12)15)19-13(2)24-25(20(19)26)21-23-16-9-5-6-10-18(16)27-21;/h3-11,26H,1-2H3;/q;+1/p-1