(5E)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-(tetrahydrofurfuryl)-2-thioxo-thiazolidin-4-one Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3S2/c1-20(2)14-16-35-24-12-10-21(11-13-24)27-22(18-32(30-27)23-7-4-3-5-8-23)17-26-28(33)31(29(36)37-26)19-25-9-6-15-34-25/h3-5,7-8,10-13,17-18,20,25H,6,9,14-16,19H2,1-2H3/b26-17+