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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-(2-thienyl)oxazol-4-yl]methyl]phthalazin-1-one Formula: C24H19N3O2S MolecularWeight: 413.49156

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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=COC(=N4)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C24H19N3O2S/c1-15-9-10-16(2)20(12-15)22-18-6-3-4-7-19(18)24(28)27(26-22)13-17-14-29-23(25-17)21-8-5-11-30-21/h3-12,14H,13H2,1-2H3