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

Systemtic Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-butyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-3-butyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-butyl-2-thioxo-thiazolidin-4-one Formula: C27H31N3OS2 MolecularWeight: 477.68454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)/SC1=S

InChI

InChI=1S/C27H31N3OS2/c1-2-3-9-29-25(31)23(33-26(29)32)13-21-17-30(22-7-5-4-6-8-22)28-24(21)27-14-18-10-19(15-27)12-20(11-18)16-27/h4-8,13,17-20H,2-3,9-12,14-16H2,1H3/b23-13-