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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > secondary amide > imide > dicarboximide > phthalimides > 2-(1h-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > phthalimides > 2-(1h-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > polycyclic heteroarene > benzopyrrole > isoindoles > phthalimides > 2-(1h-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile

Preferred term

2-(1h-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H18N4O3S

inchi

  • InChI=1S/C22H18N4O3S/c1-30-11-10-18(26-21(28)13-6-2-3-7-14(13)22(26)29)19(27)15(12-23)20-24-16-8-4-5-9-17(16)25-20/h2-9,15,18H,10-11H2,1H3,(H,24,25)

inchikey

  • NCIAEHGOBWMUEE-UHFFFAOYSA-N

mass

  • 418.470

monoisotopicmass

  • 418.10996

smiles

  • CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2N1)N3C(=O)C4=CC=CC=C4C3=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107788

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