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

Systemtic Name: 2-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(5-allylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[4-phenyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[5-(allylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=CC=C2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=CC=C2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C24H18N4O2S/c1-2-14-31-24-26-25-20(28(24)17-10-4-3-5-11-17)15-27-22(29)18-12-6-8-16-9-7-13-19(21(16)18)23(27)30/h2-13H,1,14-15H2