Isomazole

CAS Registry Number®

86315-52-8
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CAS Name

Isomazole

Molecular Formula

C14H13N3O2S

Molecular Mass

287.34

Cite this Page

Isomazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86315-52-8 (retrieved 2024-09-19) (CAS RN: 86315-52-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143-146 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)

InChIKey

InChIKey=JQUKCPUPFALELS-UHFFFAOYSA-N

SMILES

O(C)C1=C(C=CC(S(C)=O)=C1)C=2NC=3C(N2)=CN=CC3

Canonical SMILES

O=S(C=1C=CC(=C(OC)C1)C2=NC=3C=NC=CC3N2)C

Other Names for this Substance

  • 3H-Imidazo[4,5-c]pyridine, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-
  • 1H-Imidazo[4,5-c]pyridine, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-
  • 2-[2-Methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-c]pyridine
  • Isomazole
  • Isosulmazole

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Deleted or Replaced CAS Registry Numbers

102846-50-4, 106485-63-6