CHEBI:104993 - 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone
ChEBI ID CHEBI:104993
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H25N5O3S2
Net Charge 0
Average Mass 483.609
Monoisotopic Mass 483.13988
InChI InChI=1S/C23H25N5O3S2/c1-26-22(18-8-10-19(11-9-18)33(30,31)27-13-4-5-14-27)24-25-23(26)32-16-21(29)28-15-12-17-6-2-3-7-20(17)28/h2-3,6-11H,4-5,12-16H2,1H3
InChIKey VMCJBYOKXRANAM-UHFFFAOYSA-N
SMILES CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5
ChEBI Ontology
Outgoing 1-(2,3-dihydroindol-1-yl)-2-[[4-methyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone (CHEBI:104993) is a triazoles (CHEBI:35727)
Manual Xref Database
LSM-16356 LINCS
View more database links