4-(5-chloranylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Openeye Name: 4-(5-chloro-2-thienyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one CAS Name: 4-(5-chloro-2-thiophenyl)-2-[2-(1-imidazolyl)ethyl]-1-phthalazinone IUPAC Name: 4-(5-chlorothiophen-2-yl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Traditional Name: 4-(5-chloro-2-thienyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one Formula: C17H13ClN4OS MolecularWeight: 356.82932

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=C(S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H13ClN4OS/c18-15-6-5-14(24-15)16-12-3-1-2-4-13(12)17(23)22(20-16)10-9-21-8-7-19-11-21/h1-8,11H,9-10H2