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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile

Preferred term

2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C17H11ClN2OS

inchi

  • InChI=1S/C17H11ClN2OS/c18-15(11-6-2-1-3-7-11)16(21)12(10-19)17-20-13-8-4-5-9-14(13)22-17/h1-9,12,15H

inchikey

  • GUQMMLVVGSTAKM-UHFFFAOYSA-N

mass

  • 326.802

monoisotopicmass

  • 326.02806

smiles

  • C1=CC=C(C=C1)C(C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105133

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