4-Nitro-α-(1H-1,2,4-triazol-5-ylthio)benzeneacetonitrile

CAS Registry Number®

477865-29-5
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CAS Name

4-Nitro-α-(1H-1,2,4-triazol-5-ylthio)benzeneacetonitrile

Molecular Formula

C10H7N5O2S

Molecular Mass

261.26

Cite this Page

4-Nitro-α-(1H-1,2,4-triazol-5-ylthio)benzeneacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=477865-29-5 (retrieved 2024-08-13) (CAS RN: 477865-29-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H7N5O2S/c11-5-9(18-10-12-6-13-14-10)7-1-3-8(4-2-7)15(16)17/h1-4,6,9H,(H,12,13,14)

InChIKey

InChIKey=AJVOEQYFUQCGJM-UHFFFAOYSA-N

SMILES

C(SC=1NC=NN1)(C#N)C2=CC=C(N(=O)=O)C=C2

Canonical SMILES

N#CC(SC1=NN=CN1)C2=CC=C(C=C2)N(=O)=O

Other Names for this Substance

  • Benzeneacetonitrile, 4-nitro-α-(1H-1,2,4-triazol-5-ylthio)-
  • Benzeneacetonitrile, 4-nitro-α-(1H-1,2,4-triazol-3-ylthio)-
  • 4-Nitro-α-(1H-1,2,4-triazol-5-ylthio)benzeneacetonitrile