(5E)-3-(3,5-dimethylphenyl)-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-3-(3,5-dimethylphenyl)-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-3-(3,5-dimethylphenyl)-5-[(2-prop-2-ynoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-3-(3,5-dimethylphenyl)-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-3-(3,5-dimethylphenyl)-5-[(2-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-3-(3,5-dimethylphenyl)-5-(2-propargyloxybenzylidene)-2-thioxo-4-imidazolidinone Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=CC=C3OCC#C)NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=CC=C3OCC#C)/NC2=S)C

InChI

InChI=1S/C21H18N2O2S/c1-4-9-25-19-8-6-5-7-16(19)13-18-20(24)23(21(26)22-18)17-11-14(2)10-15(3)12-17/h1,5-8,10-13H,9H2,2-3H3,(H,22,26)/b18-13+