sodium 4-butyl-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-1-phenyl-pyrazol-3-olate

Systemtic Name: sodium 4-butyl-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-1-phenyl-pyrazol-3-olate Openeye Name: sodium 4-butyl-2-[4-(4-chlorophenyl)thiazol-2-yl]-5-oxo-1-phenyl-pyrazol-3-olate CAS Name: sodium 4-butyl-2-[4-(4-chlorophenyl)-2-thiazolyl]-5-oxo-1-phenyl-3-pyrazololate IUPAC Name: sodium 4-butyl-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxo-1-phenylpyrazol-3-olate Traditional Name: sodium 4-butyl-2-[4-(4-chlorophenyl)thiazol-2-yl]-5-keto-1-phenyl-3-pyrazolin-3-olate Formula: C22H19ClN3NaO2S MolecularWeight: 447.91293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)[O-].[Na+]

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)[O-].[Na+]

InChI

InChI=1S/C22H20ClN3O2S.Na/c1-2-3-9-18-20(27)25(17-7-5-4-6-8-17)26(21(18)28)22-24-19(14-29-22)15-10-12-16(23)13-11-15;/h4-8,10-14,28H,2-3,9H2,1H3;/q;+1/p-1