1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(p-tolyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(p-tolyl)pyridazin-3-yl]thio]ethanone Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3OS/c1-15-6-8-16(9-7-15)17-10-11-18(21-20-17)24-14-19(23)22-12-4-2-3-5-13-22/h6-11H,2-5,12-14H2,1H3