2-(2-imidazol-1-ylethyl)-4-(4-methylsulfanylphenyl)phthalazin-1-one

Systemtic Name: 2-(2-imidazol-1-ylethyl)-4-(4-methylsulfanylphenyl)phthalazin-1-one Openeye Name: 2-(2-imidazol-1-ylethyl)-4-(4-methylsulfanylphenyl)phthalazin-1-one CAS Name: 2-[2-(1-imidazolyl)ethyl]-4-[4-(methylthio)phenyl]-1-phthalazinone IUPAC Name: 2-(2-imidazol-1-ylethyl)-4-(4-methylsulfanylphenyl)phthalazin-1-one Traditional Name: 2-(2-imidazol-1-ylethyl)-4-[4-(methylthio)phenyl]phthalazin-1-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

InChI

InChI=1S/C20H18N4OS/c1-26-16-8-6-15(7-9-16)19-17-4-2-3-5-18(17)20(25)24(22-19)13-12-23-11-10-21-14-23/h2-11,14H,12-13H2,1H3