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

Systemtic Name: 2-[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-13-9-14(2)22-19(18(13)10-21)25-12-16(23)11-24-17-5-3-15(4-6-17)7-8-20/h3-6,9,16,23H,7,11-12H2,1-2H3