2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C22H16N4O2S MolecularWeight: 400.45304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=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)