2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCCCC2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCCCC2)C

InChI

InChI=1S/C17H23N3OS/c1-13-10-14(2)19-17(15(13)11-18)22-12-16(21)20-8-6-4-3-5-7-9-20/h10H,3-9,12H2,1-2H3