6-[[4-(1-adamantyl)phenyl]methylsulfanyl]-5-cyano-pyridine-2-carboxylic acid

Systemtic Name: 6-[[4-(1-adamantyl)phenyl]methylsulfanyl]-5-cyano-pyridine-2-carboxylic acid Openeye Name: 6-[[4-(1-adamantyl)phenyl]methylsulfanyl]-5-cyano-pyridine-2-carboxylic acid CAS Name: 6-[[4-(1-adamantyl)phenyl]methylthio]-5-cyano-2-pyridinecarboxylic acid IUPAC Name: 6-[[4-(1-adamantyl)phenyl]methylsulfanyl]-5-cyanopyridine-2-carboxylic acid Traditional Name: 6-[[4-(1-adamantyl)benzyl]thio]-5-cyano-picolinic acid Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)CSC5=C(C=CC(=N5)C(=O)O)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)CSC5=C(C=CC(=N5)C(=O)O)C#N

InChI

InChI=1S/C24H24N2O2S/c25-13-19-3-6-21(23(27)28)26-22(19)29-14-15-1-4-20(5-2-15)24-10-16-7-17(11-24)9-18(8-16)12-24/h1-6,16-18H,7-12,14H2,(H,27,28)