3-chloranyl-2,2-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-chloranyl-2,2-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]propan-1-one CAS Name: 3-chloro-2,2-dimethyl-1-[2-methyl-4-[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]piperazin-1-yl]propan-1-one Traditional Name: 3-chloro-2,2-dimethyl-1-[2-methyl-4-[2-[(6-phenylpyridazin-3-yl)thio]acetyl]piperazino]propan-1-one Formula: C22H27ClN4O2S MolecularWeight: 446.99338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O2S/c1-16-13-26(11-12-27(16)21(29)22(2,3)15-23)20(28)14-30-19-10-9-18(24-25-19)17-7-5-4-6-8-17/h4-10,16H,11-15H2,1-3H3