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

Systemtic Name: 6-[(5Z)-5-[[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 6-[(5Z)-5-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-[[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoate IUPAC Name: 6-[(5Z)-5-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-4-keto-5-[[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]hexanoate Formula: C24H22N3O4S2- MolecularWeight: 480.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S2/c1-16-11-12-19(31-16)22-17(15-27(25-22)18-8-4-2-5-9-18)14-20-23(30)26(24(32)33-20)13-7-3-6-10-21(28)29/h2,4-5,8-9,11-12,14-15H,3,6-7,10,13H2,1H3,(H,28,29)/p-1/b20-14-