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

Systemtic Name: sodium 2-[(4E)-3-methoxy-4-(phenylsulfonylmethylidene)pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[(4E)-4-(benzenesulfonylmethylene)-3-methoxy-1-pyridyl]propanedinitrile CAS Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-methoxy-1-pyridinyl]propanedinitrile IUPAC Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-methoxypyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[(4E)-4-(besylmethylene)-3-methoxy-1-pyridyl]malononitrile Formula: C16H12N3NaO3S MolecularWeight: 349.33955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N3O3S.Na/c1-22-16-11-19(14(9-17)10-18)8-7-13(16)12-23(20,21)15-5-3-2-4-6-15;/h2-8,11-12H,1H3;/q-1;+1/b13-12+;