(5E)-3-heptyl-5-[[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-heptyl-5-[[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-heptyl-5-[[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-heptyl-5-[[3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-heptyl-5-[[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-heptyl-5-[[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C30H34N4O4S3 MolecularWeight: 610.81036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C30H34N4O4S3/c1-2-3-4-5-9-15-33-29(35)27(40-30(33)39)21-24-22-34(25-12-7-6-8-13-25)31-28(24)23-11-10-14-26(20-23)41(36,37)32-16-18-38-19-17-32/h6-8,10-14,20-22H,2-5,9,15-19H2,1H3/b27-21+