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Chemistry, part 3

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 > nitro compound > c-nitro compound > [4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > c-nitro compound > [4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > [4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone

Preferred term

[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone  

Type

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

Broader concept

charge

  • 0

formula

  • C19H21N3O3S

inchi

  • InChI=1S/C19H21N3O3S/c1-26-18-8-2-15(3-9-18)14-20-10-12-21(13-11-20)19(23)16-4-6-17(7-5-16)22(24)25/h2-9H,10-14H2,1H3

inchikey

  • RBIMEIXDDYSEGP-UHFFFAOYSA-N

mass

  • 371.455

monoisotopicmass

  • 371.13036

smiles

  • CSC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104166

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