1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(prop-2-enylthio)phenyl]-3-pyridazinecarboxamide IUPAC Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H18ClN3O2S/c1-3-12-28-19-7-5-4-6-17(19)23-21(27)20-18(26)13-14(2)25(24-20)16-10-8-15(22)9-11-16/h3-11,13H,1,12H2,2H3,(H,23,27)