4-[(5Z)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5Z)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-[[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C26H24N3O4S2- MolecularWeight: 506.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S2/c1-3-33-21-12-11-18(14-17(21)2)24-19(16-29(27-24)20-8-5-4-6-9-20)15-22-25(32)28(26(34)35-22)13-7-10-23(30)31/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,30,31)/p-1/b22-15-