2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3OS/c1-3-6-14(2)23-19(26)13-27-21-18-8-5-4-7-17(18)20(24-25-21)15-9-11-16(22)12-10-15/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,23,26)/t14-/m0/s1