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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-[3-[(4-chlorophenyl)methylthio]-1h-1,2,4-triazol-5-yl]-4-cyanobenzamide
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-[3-[(4-chlorophenyl)methylthio]-1h-1,2,4-triazol-5-yl]-4-cyanobenzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > n-[3-[(4-chlorophenyl)methylthio]-1h-1,2,4-triazol-5-yl]-4-cyanobenzamide

Preferred term

n-[3-[(4-chlorophenyl)methylthio]-1h-1,2,4-triazol-5-yl]-4-cyanobenzamide  

Type

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

Broader concept

charge

  • 0

formula

  • C17H12ClN5OS

inchi

  • InChI=1S/C17H12ClN5OS/c18-14-7-3-12(4-8-14)10-25-17-21-16(22-23-17)20-15(24)13-5-1-11(9-19)2-6-13/h1-8H,10H2,(H2,20,21,22,23,24)

inchikey

  • XENLBTASNXDTDF-UHFFFAOYSA-N

mass

  • 369.830

monoisotopicmass

  • 369.04511

smiles

  • C1=CC(=CC=C1CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:112736

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