(5E)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-isobutyl-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-isobutyl-5-[(3-mesityl-1-phenyl-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS2/c1-16(2)14-28-25(30)22(32-26(28)31)13-20-15-29(21-9-7-6-8-10-21)27-24(20)23-18(4)11-17(3)12-19(23)5/h6-13,15-16H,14H2,1-5H3/b22-13+