Chemical Component Summary

Name2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Identifiers2-[2-(4-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione
FormulaC22 H16 N4 O2 S
Molecular Weight400.453
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)N2C(=NNC2=S)CCN3C(=O)c4cccc5c4c(ccc5)C3=O
InChIInChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29)
InChIKeyAYAUBWSUZRFVQO-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count49
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 2884317