[2-cyano-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyridazin-1-ium-1-yl]ethenylidene]azanide

Systemtic Name: [2-cyano-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-pyridazin-1-ium-1-yl]ethenylidene]azanide Openeye Name: [2-cyano-2-[3-phenyl-4-(p-tolylsulfonylmethyl)pyridazin-1-ium-1-yl]ethenylidene]azanide CAS Name: [2-cyano-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-1-pyridazin-1-iumyl]ethenylidene]azanide IUPAC Name: [2-cyano-2-[4-[(4-methylphenyl)sulfonylmethyl]-3-phenylpyridazin-1-ium-1-yl]ethenylidene]azanide Traditional Name: [2-cyano-2-[3-phenyl-4-(tosylmethyl)pyridazin-1-ium-1-yl]ethenylidene]azanide Formula: C21H16N4O2S MolecularWeight: 388.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=[N+](C=C2)C(=C=[N-])C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(N=[N+](C=C2)C(=C=[N-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H16N4O2S/c1-16-7-9-20(10-8-16)28(26,27)15-18-11-12-25(19(13-22)14-23)24-21(18)17-5-3-2-4-6-17/h2-12H,15H2,1H3