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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azetidines > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azetidines > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azetidines > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azetidines > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azetidines > (2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile

Preferred term

(2s,3r,4s)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C21H23N3OS

inchi

  • InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20-/m1/s1

inchikey

  • DBBLKINRPPNEJI-VAMGGRTRSA-N

mass

  • 365.494

monoisotopicmass

  • 365.15618

smiles

  • CCC1=CN=C(S1)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95384

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