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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

InChI

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