sodium 2-[4-[chloranyl(phenylsulfonyl)methyl]-3-methyl-4H-pyridin-1-yl]propanedinitrile

Systemtic Name: sodium 2-[4-[chloranyl(phenylsulfonyl)methyl]-3-methyl-4H-pyridin-1-yl]propanedinitrile Openeye Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methyl-4H-pyridin-1-yl]propanedinitrile CAS Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methyl-4H-pyridin-1-yl]propanedinitrile IUPAC Name: sodium 2-[4-[benzenesulfonyl(chloro)methyl]-3-methyl-4H-pyridin-1-yl]propanedinitrile Traditional Name: sodium 2-[4-[besyl(chloro)methyl]-3-methyl-4H-pyridin-1-yl]malononitrile Formula: C16H13ClN3NaO2S MolecularWeight: 369.80109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)[C-](C#N)C#N.[Na+]

Isomeric SMILES

CC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)[C-](C#N)C#N.[Na+]

InChI

InChI=1S/C16H13ClN3O2S.Na/c1-12-11-20(13(9-18)10-19)8-7-15(12)16(17)23(21,22)14-5-3-2-4-6-14;/h2-8,11,15-16H,1H3;/q-1;+1