4,5,6-trimethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4OS/c1-13-14(2)17(11-21)20(22-15(13)3)26-12-19(25)24-10-9-18(23-24)16-7-5-4-6-8-16/h4-8H,9-10,12H2,1-3H3