[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [3-[[(6-phenylpyridazin-3-yl)thio]methyl]phenyl]-piperidino-methanone Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3OS/c27-23(26-14-5-2-6-15-26)20-11-7-8-18(16-20)17-28-22-13-12-21(24-25-22)19-9-3-1-4-10-19/h1,3-4,7-13,16H,2,5-6,14-15,17H2