2-[[2-chloranyl-4-[(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-chloranyl-4-[(1,3-dimethyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-chloro-4-[(1,3-dimethyl-5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]-6-ethoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-4-[(1,3-dimethyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-6-ethoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-chloro-4-[(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[2-chloro-6-ethoxy-4-[(5-keto-1,3-dimethyl-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2C)C)Cl)OCC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2C)C)Cl)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H20ClN3O3S/c1-4-28-19-11-14(10-18-21(27)26(3)22(30)25(18)2)9-17(23)20(19)29-13-16-8-6-5-7-15(16)12-24/h5-11H,4,13H2,1-3H3