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

Systemtic Name: (5Z)-3-hexyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-3-hexyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-3-hexyl-5-[[1-phenyl-3-(4-prop-2-enoxyphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-allyloxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2S2/c1-3-5-6-10-17-30-27(32)25(35-28(30)34)19-22-20-31(23-11-8-7-9-12-23)29-26(22)21-13-15-24(16-14-21)33-18-4-2/h4,7-9,11-16,19-20H,2-3,5-6,10,17-18H2,1H3/b25-19-