2-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-2-tosyl-acetonitrile Formula: C19H14ClN3O3S MolecularWeight: 399.85076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H14ClN3O3S/c1-13-7-9-15(10-8-13)27(25,26)17(11-21)16-12-22-23(19(24)18(16)20)14-5-3-2-4-6-14/h2-10,12,17H,1H3