2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5Z)-5-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C25H22N3O4S2- MolecularWeight: 492.58988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S2/c1-2-3-13-32-20-11-9-17(10-12-20)23-18(15-28(26-23)19-7-5-4-6-8-19)14-21-24(31)27(16-22(29)30)25(33)34-21/h4-12,14-15H,2-3,13,16H2,1H3,(H,29,30)/p-1/b21-14-