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

Systemtic Name: 2-[5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pentyl]benzo[de]isoquinoline-1,3-quinone Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CN1C(=NNC1=S)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C20H20N4O2S/c1-23-16(21-22-20(23)27)11-3-2-4-12-24-18(25)14-9-5-7-13-8-6-10-15(17(13)14)19(24)26/h5-10H,2-4,11-12H2,1H3,(H,22,27)