1-[(2S)-2-methylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-16-9-7-8-14-25(16)20(26)15-27-22-19-13-6-5-12-18(19)21(23-24-22)17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3/t16-/m0/s1