2-(2-imidazol-1-ylethyl)-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-(2-imidazol-1-ylethyl)-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-(2-imidazol-1-ylethyl)-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(1-imidazolyl)ethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-(2-imidazol-1-ylethyl)-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(2-imidazol-1-ylethyl)-4-(2-thienyl)phthalazin-1-one Formula: C17H14N4OS MolecularWeight: 322.38426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC=CS4

InChI

InChI=1S/C17H14N4OS/c22-17-14-5-2-1-4-13(14)16(15-6-3-11-23-15)19-21(17)10-9-20-8-7-18-12-20/h1-8,11-12H,9-10H2