2-[[6-[(2-sulfanyl-2-adamantyl)methyl]pyridin-2-yl]methyl]adamantane-2-thiol

Systemtic Name: 2-[[6-[(2-sulfanyl-2-adamantyl)methyl]pyridin-2-yl]methyl]adamantane-2-thiol Openeye Name: 2-[[6-[(2-sulfanyl-2-adamantyl)methyl]-2-pyridyl]methyl]adamantane-2-thiol CAS Name: 2-[[6-[(2-mercapto-2-adamantyl)methyl]-2-pyridinyl]methyl]-2-adamantanethiol IUPAC Name: 2-[[6-[(2-sulfanyl-2-adamantyl)methyl]pyridin-2-yl]methyl]adamantane-2-thiol Traditional Name: 2-[[6-[(2-mercapto-2-adamantyl)methyl]-2-pyridyl]methyl]adamantane-2-thiol Formula: C27H37NS2 MolecularWeight: 439.71938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC4=NC(=CC=C4)CC5(C6CC7CC(C6)CC5C7)S)S

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC4=NC(=CC=C4)CC5(C6CC7CC(C6)CC5C7)S)S

InChI

InChI=1S/C27H37NS2/c29-26(20-6-16-4-17(8-20)9-21(26)7-16)14-24-2-1-3-25(28-24)15-27(30)22-10-18-5-19(12-22)13-23(27)11-18/h1-3,16-23,29-30H,4-15H2