2-(4-phenylphthalazin-1-yl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]-1-piperidino-ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-19(24-13-7-2-8-14-24)15-26-21-18-12-6-5-11-17(18)20(22-23-21)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2