3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)

CAS Registry Number®

440102-72-7

CAS Name

3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)

Molecular Formula

C39H41N6S.Cl

Cite this Page

3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=440102-72-7 (retrieved 2024-11-22) (CAS RN: 440102-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H41N6S.ClH/c1-38(2)30-19-10-12-21-32(30)43(5)34(38)25-23-27-15-14-16-28(24-26-35-39(3,4)31-20-11-13-22-33(31)44(35)6)36(27)46-37-40-41-42-45(37)29-17-8-7-9-18-29;/h7-13,17-26H,14-16H2,1-6H3;1H/q+1;/p-1

InChIKey

InChIKey=JTALMCTWCLULIB-UHFFFAOYSA-M

SMILES

S(C=1C(=CC=C2N(C)C=3C(C2(C)C)=CC=CC3)CCCC1C=CC4=[N+](C)C=5C(C4(C)C)=CC=CC5)C=6N(N=NN6)C7=CC=CC=C7.[Cl-]

Canonical SMILES

[Cl-].N=1N=C(SC=2C(=CC=C3N(C=4C=CC=CC4C3(C)C)C)CCCC2C=CC5=[N+](C=6C=CC=CC6C5(C)C)C)N(N1)C=7C=CC=CC7

Other Names for this Substance

  • 3H-Indolium, 2-[2-[3-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)
  • 3H-Indolium, 2-[2-[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-, chloride
  • S 0507
  • ADS 798BD
  • ADS 798SM

View All

Deleted or Replaced CAS Registry Numbers

1808110-44-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration