2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazin-1-one

Systemtic Name: 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazin-1-one Openeye Name: 2-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazin-1-one CAS Name: 2-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-phthalazinone IUPAC Name: 2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazin-1-one Traditional Name: 2-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazin-1-one Formula: C16H11N3O2S MolecularWeight: 309.34244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H11N3O2S/c20-16-13-5-2-1-4-11(13)8-17-19(16)9-12-10-21-15(18-12)14-6-3-7-22-14/h1-8,10H,9H2