2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-methyl-nicotinonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H14N2O2S/c1-11-6-7-12(8-17)16(18-11)21-10-13-9-19-14-4-2-3-5-15(14)20-13/h2-7,13H,9-10H2,1H3