Chemical Compound

AC1NC2BN

CAS Registry Number620589-09-5
AC1NC2BN chemical structure
Primary record

AC1NC2BN

CAS
620589-09-5
PubChem CID
4504586
SMILES
CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)OCC=C
Molecular Formula
C23H17N3O4S
Molecular Weight
431.473
Exact Mass
431.094
InChI
InChI=1S/C23H17N3O4S/c1-3-11-29-15-8-6-7-14(12-15)19-18-20(27)16-9-4-5-10-17(16)30-21(18)22(28)26(19)23-25-24-13(2)31-23/h3-10,12,19H,1,11H2,2H3
InChIKey
YXMAEIYXVUEUOG-UHFFFAOYSA-N
LogP
4.2675
TPSA
85.53

Names and synonyms

  • AC1NC2BN
  • YXMAEIYXVUEUOG-UHFFFAOYSA-N
  • STK818891
  • ZINC02172702
  • AKOS001697322
  • AKOS016087607
  • CCG-117137
  • CID4504586
  • AF-399/42217376
  • Z57789366
  • 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 620589-09-5
  • 1-[3-(allyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
  • 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
  • 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione