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

Systemtic Name: 4,6-dimethyl-2-[(2R)-2-oxidanyl-3-[(R)-(phenylmethyl)sulfinyl]propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(2R)-3-[(R)-benzylsulfinyl]-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2R)-2-hydroxy-3-[(R)-(phenylmethyl)sulfinyl]propyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2R)-3-[(R)-benzylsulfinyl]-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2R)-3-[(R)-benzylsulfinyl]-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-13-8-14(2)20-18(17(13)9-19)23-10-16(21)12-24(22)11-15-6-4-3-5-7-15/h3-8,16,21H,10-12H2,1-2H3/t16-,24-/m1/s1