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

Systemtic Name: (5Z)-3-hexyl-5-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-hexyl-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-3-hexyl-5-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C29H31N3O2S2 MolecularWeight: 517.70534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OCC=C)C)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C29H31N3O2S2/c1-4-6-7-11-16-31-28(33)26(36-29(31)35)19-23-20-32(24-12-9-8-10-13-24)30-27(23)22-14-15-25(21(3)18-22)34-17-5-2/h5,8-10,12-15,18-20H,2,4,6-7,11,16-17H2,1,3H3/b26-19-