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

Systemtic Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-allyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-allyl-2-thioxo-thiazolidin-4-one Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)/SC1=S

InChI

InChI=1S/C26H27N3OS2/c1-2-8-28-24(30)22(32-25(28)31)12-20-16-29(21-6-4-3-5-7-21)27-23(20)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-7,12,16-19H,1,8-11,13-15H2/b22-12-