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

Systemtic Name: 4,5,6-trimethyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-4,5,6-trimethyl-nicotinonitrile Formula: C16H16N2S MolecularWeight: 268.37664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H16N2S/c1-11-12(2)15(9-17)16(18-13(11)3)19-10-14-7-5-4-6-8-14/h4-8H,10H2,1-3H3