(5Z)-5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-5-[[3-(4-butoxy-3-chloranyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-cyclohexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-butoxy-3-chloro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-cyclohexyl-2-thioxo-thiazolidin-4-one Formula: C29H30ClN3O2S2 MolecularWeight: 552.1504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H30ClN3O2S2/c1-2-3-16-35-25-15-14-20(17-24(25)30)27-21(19-32(31-27)22-10-6-4-7-11-22)18-26-28(34)33(29(36)37-26)23-12-8-5-9-13-23/h4,6-7,10-11,14-15,17-19,23H,2-3,5,8-9,12-13,16H2,1H3/b26-18-