1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]pyridazine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]pyridazine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(4-chlorophenyl)-6-methyl-4-oxo-N-[2-(phenylmethylthio)ethyl]-3-pyridazinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O2S/c1-15-13-19(26)20(24-25(15)18-9-7-17(22)8-10-18)21(27)23-11-12-28-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,23,27)