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

Systemtic Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one CAS Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-3-heptyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-3-heptyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-heptyl-2-thioxo-thiazolidin-4-one Formula: C30H37N3OS2 MolecularWeight: 519.76428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)/SC1=S

InChI

InChI=1S/C30H37N3OS2/c1-2-3-4-5-9-12-32-28(34)26(36-29(32)35)16-24-20-33(25-10-7-6-8-11-25)31-27(24)30-17-21-13-22(18-30)15-23(14-21)19-30/h6-8,10-11,16,20-23H,2-5,9,12-15,17-19H2,1H3/b26-16+