3-[4-[(E)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(E)-(5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinylidene)methyl]-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(E)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionic acid Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)N3)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C22H18N4O3S/c27-19(28)11-12-25-14-16(20(24-25)15-7-3-1-4-8-15)13-18-21(29)26(22(30)23-18)17-9-5-2-6-10-17/h1-10,13-14H,11-12H2,(H,23,30)(H,27,28)/b18-13+