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

Systemtic Name: sodium 2-[(4E)-3-butyl-4-(phenylsulfonylmethylidene)pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[(4E)-4-(benzenesulfonylmethylene)-3-butyl-1-pyridyl]propanedinitrile CAS Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-butyl-1-pyridinyl]propanedinitrile IUPAC Name: sodium 2-[(4E)-4-(benzenesulfonylmethylidene)-3-butylpyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[(4E)-4-(besylmethylene)-3-butyl-1-pyridyl]malononitrile Formula: C19H18N3NaO2S MolecularWeight: 375.41989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)[C-](C#N)C#N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N3O2S.Na/c1-2-3-7-16-14-22(18(12-20)13-21)11-10-17(16)15-25(23,24)19-8-5-4-6-9-19;/h4-6,8-11,14-15H,2-3,7H2,1H3;/q-1;+1/b17-15+;