CHEBI:121471 - 1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone

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ChEBI Name 1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone
ChEBI ID CHEBI:121471
Stars This entity has been manually annotated by a third party.
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Formula C22H22N4OS
Net Charge 0
Average Mass 390.503
Monoisotopic Mass 390.15143
InChI InChI=1S/C22H22N4OS/c1-22(2)13-16-8-3-5-9-17(16)20-23-24-21(26(20)22)28-14-19(27)25-12-11-15-7-4-6-10-18(15)25/h3-10H,11-14H2,1-2H3
InChIKey DQFOPYSEAVPWQL-UHFFFAOYSA-N
SMILES CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCC5=CC=CC=C54)C
ChEBI Ontology
Outgoing 1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone (CHEBI:121471) is a triazolopyridine (CHEBI:46746)
Manual Xref Database
LSM-32914 LINCS
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