Butoconazole

CAS Registry Number®

64872-76-0
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CAS Name

Butoconazole

Molecular Formula

C19H17Cl3N2S

Molecular Mass

411.78

Cite this Page

Butoconazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67085-13-6 (retrieved 2024-04-20) (CAS RN: 64872-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    68-70.5 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2

InChIKey

InChIKey=SWLMUYACZKCSHZ-UHFFFAOYSA-N

SMILES

C(SC1=C(Cl)C=CC=C1Cl)(CN2C=CN=C2)CCC3=CC=C(Cl)C=C3

Canonical SMILES

ClC1=CC=C(C=C1)CCC(SC=2C(Cl)=CC=CC2Cl)CN3C=NC=C3

Other Names for this Substance

  • 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-
  • 1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, (±)-
  • 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole
  • Butoconazole
  • Butaconazole

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Deleted or Replaced CAS Registry Numbers

67085-13-6, 85496-23-7

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