11-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[(1,3-diphenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C30H33N3O3S2 MolecularWeight: 547.73132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O3S2/c34-27(35)19-13-5-3-1-2-4-6-14-20-32-29(36)26(38-30(32)37)21-24-22-33(25-17-11-8-12-18-25)31-28(24)23-15-9-7-10-16-23/h7-12,15-18,21-22H,1-6,13-14,19-20H2,(H,34,35)/b26-21-