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

Systemtic Name: 2-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)phthalazin-1-one Openeye Name: 2-(2-imidazol-1-ylethyl)-4-(2-thienylmethyl)phthalazin-1-one CAS Name: 2-[2-(1-imidazolyl)ethyl]-4-(thiophen-2-ylmethyl)-1-phthalazinone IUPAC Name: 2-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)phthalazin-1-one Traditional Name: 2-(2-imidazol-1-ylethyl)-4-(2-thenyl)phthalazin-1-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)CC4=CC=CS4

InChI

InChI=1S/C18H16N4OS/c23-18-16-6-2-1-5-15(16)17(12-14-4-3-11-24-14)20-22(18)10-9-21-8-7-19-13-21/h1-8,11,13H,9-10,12H2