4-[4,4-dimethyl-3-(4-oxidanylbutyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-2-iodanyl-benzenecarbonitrile

Systemtic Name: 4-[4,4-dimethyl-3-(4-oxidanylbutyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]-2-iodanyl-benzenecarbonitrile Openeye Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxo-imidazolidin-1-yl]-2-iodo-benzonitrile CAS Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylidene-1-imidazolidinyl]-2-iodobenzonitrile IUPAC Name: 4-[3-(4-hydroxybutyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-iodobenzonitrile Traditional Name: 4-[3-(4-hydroxybutyl)-5-keto-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-iodo-benzonitrile Formula: C16H18IN3O2S MolecularWeight: 443.30249

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)I)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCO)C2=CC(=C(C=C2)C#N)I)C

InChI

InChI=1S/C16H18IN3O2S/c1-16(2)14(22)20(15(23)19(16)7-3-4-8-21)12-6-5-11(10-18)13(17)9-12/h5-6,9,21H,3-4,7-8H2,1-2H3