5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S2/c1-3-4-5-9-16-31-22-14-12-19(13-15-22)24-20(17-23-25(30)28(2)26(32)33-23)18-29(27-24)21-10-7-6-8-11-21/h6-8,10-15,17-18H,3-5,9,16H2,1-2H3