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

Systemtic Name: 3-butyl-5-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-butyl-2-thioxo-thiazolidin-4-one CAS Name: 3-butyl-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-butyl-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-butyl-2-thioxo-thiazolidin-4-one Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S

InChI

InChI=1S/C27H27N3O2S2/c1-4-6-14-29-26(31)24(34-27(29)33)17-21-18-30(22-10-8-7-9-11-22)28-25(21)20-12-13-23(19(3)16-20)32-15-5-2/h5,7-13,16-18H,2,4,6,14-15H2,1,3H3