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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H23N5OS/c27-21(25-12-3-1-2-4-13-25)15-28-20-10-9-19(23-24-20)17-5-7-18(8-6-17)26-14-11-22-16-26/h5-11,14,16H,1-4,12-13,15H2