2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-mesityl-acetamide Formula: C25H22FN3OS MolecularWeight: 431.525083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3OS/c1-15-12-16(2)23(17(3)13-15)27-22(30)14-31-25-21-7-5-4-6-20(21)24(28-29-25)18-8-10-19(26)11-9-18/h4-13H,14H2,1-3H3,(H,27,30)