(5Z)-5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5Z)-5-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-octyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(4-isopropoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-octyl-2-thioxo-thiazolidin-4-one Formula: C31H37N3O2S2 MolecularWeight: 547.77438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC(C)C)C)C4=CC=CC=C4)SC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC(C)C)C)C4=CC=CC=C4)/SC1=S

InChI

InChI=1S/C31H37N3O2S2/c1-5-6-7-8-9-13-18-33-30(35)28(38-31(33)37)20-25-21-34(26-14-11-10-12-15-26)32-29(25)24-16-17-27(23(4)19-24)36-22(2)3/h10-12,14-17,19-22H,5-9,13,18H2,1-4H3/b28-20-