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

Systemtic Name: 2-[3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methoxy]-2-hydroxy-propyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(COCC2=CC=C(C=C2)Cl)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(COCC2=CC=C(C=C2)Cl)O)C

InChI

InChI=1S/C18H19ClN2O2S/c1-12-7-13(2)21-18(17(12)8-20)24-11-16(22)10-23-9-14-3-5-15(19)6-4-14/h3-7,16,22H,9-11H2,1-2H3