1-(4-chlorophenyl)carbonyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-azepan-2-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]azepan-2-one Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H22ClN5O2S/c1-14-13-15(2)28(26-14)19-10-11-20(25-24-19)31-18-5-3-4-12-27(22(18)30)21(29)16-6-8-17(23)9-7-16/h6-11,13,18H,3-5,12H2,1-2H3