1-(azepan-1-yl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2-naphthyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2-naphthalenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2-naphthyl)pyridazin-3-yl]thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3OS/c26-22(25-13-5-1-2-6-14-25)16-27-21-12-11-20(23-24-21)19-10-9-17-7-3-4-8-18(17)15-19/h3-4,7-12,15H,1-2,5-6,13-14,16H2