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

Systemtic Name: 4-[5-azanylidene-4,4-dimethyl-3-(4-oxidanylbutyl)-2-sulfanylidene-imidazolidin-1-yl]-2-iodanyl-benzenecarbonitrile Openeye Name: 4-[3-(4-hydroxybutyl)-5-imino-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-iodo-benzonitrile CAS Name: 4-[3-(4-hydroxybutyl)-5-imino-4,4-dimethyl-2-sulfanylidene-1-imidazolidinyl]-2-iodobenzonitrile IUPAC Name: 4-[3-(4-hydroxybutyl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-iodobenzonitrile Traditional Name: 4-[3-(4-hydroxybutyl)-5-imino-4,4-dimethyl-2-thioxo-imidazolidin-1-yl]-2-iodo-benzonitrile Formula: C16H19IN4OS MolecularWeight: 442.31773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN4OS/c1-16(2)14(19)21(15(23)20(16)7-3-4-8-22)12-6-5-11(10-18)13(17)9-12/h5-6,9,19,22H,3-4,7-8H2,1-2H3