3-[[5-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: 3-[[5-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[5-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[5-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[5-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[5-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]-N-phenyl-propionamide Formula: C22H20N6O3S2 MolecularWeight: 480.5626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=NN=C(S3)SCCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=NN=C(S3)SCCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3S2/c1-28-20(31)16-10-6-5-9-15(16)17(27-28)13-19(30)24-21-25-26-22(33-21)32-12-11-18(29)23-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,29)(H,24,25,30)