2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)N2C(=CC(=N2)C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C14H14N4OS/c1-9-4-5-12(7-15)14(16-9)20-8-13(19)18-11(3)6-10(2)17-18/h4-6H,8H2,1-3H3