2-[3-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(5-allylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-phenyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[5-(allylthio)-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H22N4O2S/c1-2-17-33-26-28-27-22(30(26)19-11-4-3-5-12-19)15-8-16-29-24(31)20-13-6-9-18-10-7-14-21(23(18)20)25(29)32/h2-7,9-14H,1,8,15-17H2