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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O2S2/c1-5-6-14-33-23-12-13-24(20(4)15-23)26-21(18-31(29-26)22-10-8-7-9-11-22)16-25-27(32)30(17-19(2)3)28(34)35-25/h7-13,15-16,18-19H,5-6,14,17H2,1-4H3