5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one CAS Name: 5-[[3-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one Formula: C26H26N4O3S3 MolecularWeight: 538.70464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5)SC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5)SC1=S

InChI

InChI=1S/C26H26N4O3S3/c1-28-25(31)23(35-26(28)34)17-20-18-30(21-11-5-4-6-12-21)27-24(20)19-10-9-13-22(16-19)36(32,33)29-14-7-2-3-8-15-29/h4-6,9-13,16-18H,2-3,7-8,14-15H2,1H3