3-(Butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine

CAS Registry Number®

353519-65-0
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CAS Name

3-(Butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine

Molecular Formula

C22H23ClN4O3S

Molecular Mass

458.96

Cite this Page

3-(Butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=353519-65-0 (retrieved 2024-09-12) (CAS RN: 353519-65-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H23ClN4O3S/c1-4-5-10-31-22-25-21-19(26-27-22)13-8-6-7-9-16(13)24-20(30-21)14-11-17(28-2)18(29-3)12-15(14)23/h6-9,11-12,20,24H,4-5,10H2,1-3H3

InChIKey

InChIKey=DLLIUVWTKAASDH-UHFFFAOYSA-N

SMILES

S(CCCC)C=1N=C2C(C=3C(NC(O2)C4=CC(OC)=C(OC)C=C4Cl)=CC=CC3)=NN1

Canonical SMILES

ClC=1C=C(OC)C(OC)=CC1C2OC=3N=C(N=NC3C4=CC=CC=C4N2)SCCCC

Other Names for this Substance

  • 1,2,4-Triazino[5,6-d][3,1]benzoxazepine, 3-(butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-
  • 3-(Butylthio)-6-(2-chloro-4,5-dimethoxyphenyl)-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine