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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5C(=C4)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5C(=C4)[O-].[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;/h2-10,23H,1H3,(H,21,25);/q;+1/p-1