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

Systemtic Name: 2-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CSC2=C(C(=CC(=N2)C)C)C#N)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@@H](CSC2=C(C(=CC(=N2)C)C)C#N)O

InChI

InChI=1S/C19H22N2O2S/c1-4-15-5-7-17(8-6-15)23-11-16(22)12-24-19-18(10-20)13(2)9-14(3)21-19/h5-9,16,22H,4,11-12H2,1-3H3/t16-/m0/s1