2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c1-10-5-11(2)19-17(13(10)7-18)23-8-14(20)12-3-4-15-16(6-12)22-9-21-15/h3-6H,8-9H2,1-2H3