2-[(2S)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2S)-3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-5-6-16-7-8-19(20(10-16)25-4)26-12-17(24)13-27-21-18(11-22)14(2)9-15(3)23-21/h5,7-10,17,24H,1,6,12-13H2,2-4H3/t17-/m0/s1