2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(2-chlorophenyl)-6-methyl-4-oxo-3-pyridazinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(2-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H20ClN5O4S MolecularWeight: 497.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H20ClN5O4S/c1-16-14-20(30)22(26-29(16)19-8-4-3-7-18(19)24)23(31)27-10-12-28(13-11-27)34(32,33)21-9-5-2-6-17(21)15-25/h2-9,14H,10-13H2,1H3