4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile

CAS Registry Number®

898762-88-4
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CAS Name

4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile

Molecular Formula

C19H18N2OS

Molecular Mass

322.42

Cite this Page

4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=898762-88-4 (retrieved 2024-09-07) (CAS RN: 898762-88-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H18N2OS/c20-13-15-4-6-17(7-5-15)19(22)18-3-1-2-16(12-18)14-21-8-10-23-11-9-21/h1-7,12H,8-11,14H2

InChIKey

InChIKey=HQXUDMCIEVVXEU-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC(CN2CCSCC2)=CC=C1)C3=CC=C(C#N)C=C3

Canonical SMILES

N#CC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CN3CCSCC3

Other Names for this Substance

  • Benzonitrile, 4-[3-(4-thiomorpholinylmethyl)benzoyl]-
  • 4-[3-(4-Thiomorpholinylmethyl)benzoyl]benzonitrile