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

Systemtic Name: 6-(1-adamantyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]thio]nicotinonitrile Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N)C

InChI

InChI=1S/C23H26N4OS/c1-14-5-15(2)27(26-14)21(28)13-29-22-19(12-24)3-4-20(25-22)23-9-16-6-17(10-23)8-18(7-16)11-23/h3-5,16-18H,6-11,13H2,1-2H3