4,6-dimethyl-2-[(2S)-2-oxidanyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(2S)-2-oxidanyl-3-(phenylmethyl)sulfonyl-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-benzylsulfonyl-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-3-(phenylmethyl)sulfonylpropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-3-benzylsulfonyl-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC[C@@H](CS(=O)(=O)CC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H20N2O3S2/c1-13-8-14(2)20-18(17(13)9-19)24-10-16(21)12-25(22,23)11-15-6-4-3-5-7-15/h3-8,16,21H,10-12H2,1-2H3/t16-/m0/s1