4-[(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]butanoate

Systemtic Name: 4-[(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]butanoate Openeye Name: 4-[(5Z)-5-[[3-(5-isopropyl-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[[3-(2-methyl-5-propan-2-ylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-[[3-(2-methyl-5-propan-2-ylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-[[3-(5-isopropyl-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C27H26N3O3S2- MolecularWeight: 504.64364

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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)CCCC(=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)CCCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S2/c1-17(2)19-12-11-18(3)22(14-19)25-20(16-30(28-25)21-8-5-4-6-9-21)15-23-26(33)29(27(34)35-23)13-7-10-24(31)32/h4-6,8-9,11-12,14-17H,7,10,13H2,1-3H3,(H,31,32)/p-1/b23-15-