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

Systemtic Name: (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C29H33N3OS3 MolecularWeight: 535.78682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3OS3/c1-3-5-7-11-18-31-28(33)26(36-29(31)34)20-23-21-32(24-12-9-8-10-13-24)30-27(23)22-14-16-25(17-15-22)35-19-6-4-2/h8-10,12-17,20-21H,3-7,11,18-19H2,1-2H3/b26-20-