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Chemistry, part 1

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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 > sulfonamide > n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide

Preferred term

n-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H13F6N3O3S3

inchi

  • InChI=1S/C18H13F6N3O3S3/c1-31-15-25-9-8-12(26-15)13-6-7-14(32-13)33(29,30)27-11-4-2-10(3-5-11)16(28,17(19,20)21)18(22,23)24/h2-9,27-28H,1H3

inchikey

  • DRCYXOOOMNTCET-UHFFFAOYSA-N

mass

  • 529.503

monoisotopicmass

  • 529.00232

smiles

  • CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92051

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