4,6-dimethyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-(phenylmethyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfonylethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[2-(phenylmethyl)sulfonylethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfonylethylthio)-4,6-dimethyl-nicotinonitrile Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2O2S2/c1-13-10-14(2)19-17(16(13)11-18)22-8-9-23(20,21)12-15-6-4-3-5-7-15/h3-7,10H,8-9,12H2,1-2H3