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

Systemtic Name: 4,6-dimethyl-2-[2-oxidanyl-3-(phenylmethylsulfanyl)propyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzylsulfanyl-2-hydroxy-propyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(phenylmethylthio)propyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-benzylsulfanyl-2-hydroxypropyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(benzylthio)-2-hydroxy-propyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H20N2OS2 MolecularWeight: 344.4942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(CSCC2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(CSCC2=CC=CC=C2)O)C

InChI

InChI=1S/C18H20N2OS2/c1-13-8-14(2)20-18(17(13)9-19)23-12-16(21)11-22-10-15-6-4-3-5-7-15/h3-8,16,21H,10-12H2,1-2H3