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

Systemtic Name: (5Z)-5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-3-heptyl-5-[(3-m-phenetyl-1-phenyl-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)OCC)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=CC=C3)OCC)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C28H31N3O2S2/c1-3-5-6-7-11-17-30-27(32)25(35-28(30)34)19-22-20-31(23-14-9-8-10-15-23)29-26(22)21-13-12-16-24(18-21)33-4-2/h8-10,12-16,18-20H,3-7,11,17H2,1-2H3/b25-19-