(5E)-5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: (5E)-5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazol-4-olate CAS Name: (5E)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazololate IUPAC Name: (5E)-5-[[3-(4-butoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: (5E)-5-[[3-(4-butoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-3-thiazolin-4-olate Formula: C24H22N3O2S2- MolecularWeight: 448.58038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NC(=S)S3)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C2=NN(C=C2/C=C/3\C(=NC(=S)S3)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C24H23N3O2S2/c1-3-4-12-29-19-10-11-20(16(2)13-19)22-17(14-21-23(28)25-24(30)31-21)15-27(26-22)18-8-6-5-7-9-18/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,28,30)/p-1/b21-14+