2-[2-(4-quinolin-5-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-[2-(4-quinolin-5-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(5-quinolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(5-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-(4-quinolin-5-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(5-quinolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C21H16N6OS MolecularWeight: 400.45634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CCC3=NNC(=S)N3C4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C21H16N6OS/c28-20-15-6-2-1-5-14(15)13-23-26(20)12-10-19-24-25-21(29)27(19)18-9-3-8-17-16(18)7-4-11-22-17/h1-9,11,13H,10,12H2,(H,25,29)