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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(4-bromophenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(4-bromophenyl)pyridazin-3-yl]thio]ethanone Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3OS/c19-15-7-5-14(6-8-15)16-9-10-17(21-20-16)24-13-18(23)22-11-3-1-2-4-12-22/h5-10H,1-4,11-13H2