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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S2/c1-4-6-14-31-22-13-12-19(15-18(22)3)24-20(16-23-25(30)28(5-2)26(32)33-23)17-29(27-24)21-10-8-7-9-11-21/h7-13,15-17H,4-6,14H2,1-3H3