N-(2-bromanyl-4-methyl-phenyl)-2-(4-cyano-5,6-dimethyl-pyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(4-cyano-5,6-dimethyl-pyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4-cyano-5,6-dimethyl-pyridazin-3-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(4-cyano-5,6-dimethyl-3-pyridazinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(4-cyano-5,6-dimethylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-cyano-5,6-dimethyl-pyridazin-3-yl)thio]acetamide Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C(=C2C#N)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C(=C2C#N)C)C)Br

InChI

InChI=1S/C16H15BrN4OS/c1-9-4-5-14(13(17)6-9)19-15(22)8-23-16-12(7-18)10(2)11(3)20-21-16/h4-6H,8H2,1-3H3,(H,19,22)