4,6-dimethyl-2-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(5-oxidanylidene-1,4-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(5-oxo-1,4-dihydropyrazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(5-keto-2-pyrazolin-3-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=NNC(=O)C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=NNC(=O)C2)C

InChI

InChI=1S/C12H12N4OS/c1-7-3-8(2)14-12(10(7)5-13)18-6-9-4-11(17)16-15-9/h3H,4,6H2,1-2H3,(H,16,17)