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

Systemtic Name: sodium 2-[(4E)-3-ethoxy-4-(phenylsulfonylmethylidene)pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[(4E)-4-(benzenesulfonylmethylene)-3-ethoxy-1-pyridyl]propanedinitrile CAS Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-ethoxy-1-pyridinyl]propanedinitrile IUPAC Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-ethoxypyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[(4E)-4-(besylmethylene)-3-ethoxy-1-pyridyl]malononitrile Formula: C17H14N3NaO3S MolecularWeight: 363.36613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N3O3S.Na/c1-2-23-17-12-20(15(10-18)11-19)9-8-14(17)13-24(21,22)16-6-4-3-5-7-16;/h3-9,12-13H,2H2,1H3;/q-1;+1/b14-13+;