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

Systemtic Name: 2-[4-[chloranyl(phenylsulfonyl)methyl]-3-ethyl-4H-pyridin-1-yl]propanedinitrile Openeye Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-ethyl-4H-pyridin-1-yl]propanedinitrile CAS Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-ethyl-4H-pyridin-1-yl]propanedinitrile IUPAC Name: 2-[4-[benzenesulfonyl(chloro)methyl]-3-ethyl-4H-pyridin-1-yl]propanedinitrile Traditional Name: 2-[4-[besyl(chloro)methyl]-3-ethyl-4H-pyridin-1-yl]malononitrile Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)C(C#N)C#N

Isomeric SMILES

CCC1=CN(C=CC1C(S(=O)(=O)C2=CC=CC=C2)Cl)C(C#N)C#N

InChI

InChI=1S/C17H16ClN3O2S/c1-2-13-12-21(14(10-19)11-20)9-8-16(13)17(18)24(22,23)15-6-4-3-5-7-15/h3-9,12,14,16-17H,2H2,1H3