4-(1-adamantyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(1-adamantyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 4-(1-adamantyl)-2-thioxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 4-(1-adamantyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 4-(1-adamantyl)-2-sulfanylidene-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 4-(1-adamantyl)-2-thioxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile Formula: C17H17F3N2S MolecularWeight: 338.39049

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C(=S)NC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C(=S)NC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C17H17F3N2S/c18-17(19,20)14-4-13(12(8-21)15(23)22-14)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-7H2,(H,22,23)