sodium 2-[(4E)-3-methyl-4-(phenylsulfonylmethylidene)pyridin-1-yl]propanedinitrile

Systemtic Name: sodium 2-[(4E)-3-methyl-4-(phenylsulfonylmethylidene)pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[(4E)-4-(benzenesulfonylmethylene)-3-methyl-1-pyridyl]propanedinitrile CAS Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-methyl-1-pyridinyl]propanedinitrile IUPAC Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-methylpyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[(4E)-4-(besylmethylene)-3-methyl-1-pyridyl]malononitrile Formula: C16H12N3NaO2S MolecularWeight: 333.34015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

Isomeric SMILES

CC\1=CN(C=C/C1=C\S(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

InChI

InChI=1S/C16H12N3O2S.Na/c1-13-11-19(15(9-17)10-18)8-7-14(13)12-22(20,21)16-5-3-2-4-6-16;/h2-8,11-12H,1H3;/q-1;+1/b14-12+;