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

Systemtic Name: 2-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-cyanophenoxy)-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-cyanophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-12-7-13(2)21-18(17(12)9-20)24-11-15(22)10-23-16-5-3-14(8-19)4-6-16/h3-7,15,22H,10-11H2,1-2H3