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

Systemtic Name: (5E)-3-butan-2-yl-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-sec-butyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-butan-2-yl-5-[[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-butan-2-yl-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-sec-butyl-2-thioxo-thiazolidin-4-one Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C(C)CC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)C(C)CC)C4=CC=CC=C4)C

InChI

InChI=1S/C28H31N3O2S2/c1-5-7-15-33-24-14-13-21(16-19(24)3)26-22(18-30(29-26)23-11-9-8-10-12-23)17-25-27(32)31(20(4)6-2)28(34)35-25/h8-14,16-18,20H,5-7,15H2,1-4H3/b25-17+