6-[(5Z)-5-[[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 6-[(5Z)-5-[[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5Z)-5-[[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-[[3-(4-methoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5Z)-5-[[3-(4-methoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-4-keto-5-[[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C27H26N3O4S2- MolecularWeight: 520.64304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C27H27N3O4S2/c1-18-15-19(12-13-22(18)34-2)25-20(17-30(28-25)21-9-5-3-6-10-21)16-23-26(33)29(27(35)36-23)14-8-4-7-11-24(31)32/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14H2,1-2H3,(H,31,32)/p-1/b23-16-