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

Systemtic Name: 2-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(COC2=CC=C(C=C2)Br)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC[C@H](COC2=CC=C(C=C2)Br)O)C

InChI

InChI=1S/C17H17BrN2O2S/c1-11-7-12(2)20-17(16(11)8-19)23-10-14(21)9-22-15-5-3-13(18)4-6-15/h3-7,14,21H,9-10H2,1-2H3/t14-/m0/s1