2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(piperonylthio)nicotinonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H14N2O2S/c1-10-5-11(2)18-16(13(10)7-17)21-8-12-3-4-14-15(6-12)20-9-19-14/h3-6H,8-9H2,1-2H3