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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4,6-dimethyl-nicotinonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H16N2O2S/c1-11-7-12(2)19-17(14(11)8-18)22-10-13-9-20-15-5-3-4-6-16(15)21-13/h3-7,13H,9-10H2,1-2H3