5-ethyl-4,6-dimethyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethyl-4,6-dimethyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-5-ethyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 5-ethyl-4,6-dimethyl-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-5-ethyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-5-ethyl-4,6-dimethyl-nicotinonitrile Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H18N2S/c1-4-15-12(2)16(10-18)17(19-13(15)3)20-11-14-8-6-5-7-9-14/h5-9H,4,11H2,1-3H3