4,6-dimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-phenethylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(phenethylthio)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-phenethylsulfanylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(phenethylthio)nicotinonitrile Formula: C16H16N2S MolecularWeight: 268.37664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCC2=CC=CC=C2)C

InChI

InChI=1S/C16H16N2S/c1-12-10-13(2)18-16(15(12)11-17)19-9-8-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3