4-(2,5-dimethylphenyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C23H18N4O2S/c1-14-7-8-15(2)19(11-14)21-17-5-3-4-6-18(17)23(28)27(25-21)12-20-24-22(26-29-20)16-9-10-30-13-16/h3-11,13H,12H2,1-2H3