(5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-3-butyl-5-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C29H33N3O2S2 MolecularWeight: 519.72122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCC)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S2/c1-3-5-7-11-19-34-25-16-14-22(15-17-25)27-23(21-32(30-27)24-12-9-8-10-13-24)20-26-28(33)31(18-6-4-2)29(35)36-26/h8-10,12-17,20-21H,3-7,11,18-19H2,1-2H3/b26-20-