3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: 3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-octyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S

InChI

InChI=1S/C21H25N3OS2/c1-2-3-4-5-6-10-13-24-20(25)18(27-21(24)26)14-17-15-22-23-19(17)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3,(H,22,23)