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

Systemtic Name: sodium 4-butyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-1-phenyl-pyrazol-3-olate Openeye Name: sodium 4-butyl-5-oxo-1-phenyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-olate CAS Name: sodium 4-butyl-2-[4-(4-methylphenyl)-2-thiazolyl]-5-oxo-1-phenyl-3-pyrazololate IUPAC Name: sodium 4-butyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-1-phenylpyrazol-3-olate Traditional Name: sodium 4-butyl-5-keto-1-phenyl-2-[4-(p-tolyl)thiazol-2-yl]-3-pyrazolin-3-olate Formula: C23H22N3NaO2S MolecularWeight: 427.49445

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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)C)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S.Na/c1-3-4-10-19-21(27)25(18-8-6-5-7-9-18)26(22(19)28)23-24-20(15-29-23)17-13-11-16(2)12-14-17;/h5-9,11-15,28H,3-4,10H2,1-2H3;/q;+1/p-1