2-[1-(1-adamantyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1-adamantyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(1-adamantyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-adamantyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-adamantyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-adamantyl)imidazol-2-yl]thio]acetic acid Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CN=C4SCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CN=C4SCC(=O)O

InChI

InChI=1S/C15H20N2O2S/c18-13(19)9-20-14-16-1-2-17(14)15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,18,19)