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

Systemtic Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-heptyl-5-[[1-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-pyrazolyl]methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-heptyl-5-[[1-phenyl-3-(3-pyrrolidinosulfonylphenyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one Formula: C30H34N4O3S3 MolecularWeight: 594.81096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C30H34N4O3S3/c1-2-3-4-5-9-19-33-29(35)27(39-30(33)38)21-24-22-34(25-14-7-6-8-15-25)31-28(24)23-13-12-16-26(20-23)40(36,37)32-17-10-11-18-32/h6-8,12-16,20-22H,2-5,9-11,17-19H2,1H3/b27-21+