N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN4O2S/c1-15-7-12-21(16(2)13-15)27-25(32)28-22(31)14-33-24-20-6-4-3-5-19(20)23(29-30-24)17-8-10-18(26)11-9-17/h3-13H,14H2,1-2H3,(H2,27,28,31,32)