[4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[[6-(4-phenylphenyl)-3-pyridazinyl]thio]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[[6-(4-phenylphenyl)pyridazin-3-yl]thio]methyl]phenyl]-piperidino-methanone Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3OS/c33-29(32-19-5-2-6-20-32)26-11-9-22(10-12-26)21-34-28-18-17-27(30-31-28)25-15-13-24(14-16-25)23-7-3-1-4-8-23/h1,3-4,7-18H,2,5-6,19-21H2