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

Systemtic Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-heptyl-5-[[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-heptyl-5-[[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C31H36N4O3S3 MolecularWeight: 608.83754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C31H36N4O3S3/c1-2-3-4-5-12-20-34-30(36)28(40-31(34)39)22-25-23-35(26-15-8-6-9-16-26)32-29(25)24-14-13-17-27(21-24)41(37,38)33-18-10-7-11-19-33/h6,8-9,13-17,21-23H,2-5,7,10-12,18-20H2,1H3/b28-22+