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

Systemtic Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one CAS Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-3-phenethyl-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5Z)-5-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5Z)-5-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one Formula: C31H31N3OS2 MolecularWeight: 525.72734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C5C(=O)N(C(=S)S5)CCC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4/C=C\5/C(=O)N(C(=S)S5)CCC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C31H31N3OS2/c35-29-27(37-30(36)33(29)12-11-21-7-3-1-4-8-21)16-25-20-34(26-9-5-2-6-10-26)32-28(25)31-17-22-13-23(18-31)15-24(14-22)19-31/h1-10,16,20,22-24H,11-15,17-19H2/b27-16-