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

Systemtic Name: 4,6-dimethyl-2-[(2S)-2-oxidanyl-3-phenylmethoxy-propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-benzyloxy-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-3-phenylmethoxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-phenylmethoxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-3-benzoxy-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(COCC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC[C@H](COCC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H20N2O2S/c1-13-8-14(2)20-18(17(13)9-19)23-12-16(21)11-22-10-15-6-4-3-5-7-15/h3-8,16,21H,10-12H2,1-2H3/t16-/m0/s1