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

Systemtic Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-3-hexyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-hexyl-2-thioxo-thiazolidin-4-one Formula: C29H35N3OS2 MolecularWeight: 505.7377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)/SC1=S

InChI

InChI=1S/C29H35N3OS2/c1-2-3-4-8-11-31-27(33)25(35-28(31)34)15-23-19-32(24-9-6-5-7-10-24)30-26(23)29-16-20-12-21(17-29)14-22(13-20)18-29/h5-7,9-10,15,19-22H,2-4,8,11-14,16-18H2,1H3/b25-15-