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

Systemtic Name: 3-[(5Z)-5-[[3-(2-methyl-5-propan-2-yl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-5-[[3-(5-isopropyl-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-5-[[3-(2-methyl-5-propan-2-ylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-5-[[3-(2-methyl-5-propan-2-ylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-5-[[3-(5-isopropyl-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C26H24N3O3S2- MolecularWeight: 490.61706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S2/c1-16(2)18-10-9-17(3)21(13-18)24-19(15-29(27-24)20-7-5-4-6-8-20)14-22-25(32)28(26(33)34-22)12-11-23(30)31/h4-10,13-16H,11-12H2,1-3H3,(H,30,31)/p-1/b22-14-