2-[[1-(1-adamantyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[1-(1-adamantyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[1-(1-adamantyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(1-adamantyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-[1-(1-adamantyl)tetrazol-5-yl]sulfanylacetic acid Traditional Name: 2-[[1-(1-adamantyl)tetrazol-5-yl]thio]acetic acid Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=NN=N4)SCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=NN=N4)SCC(=O)O

InChI

InChI=1S/C13H18N4O2S/c18-11(19)7-20-12-14-15-16-17(12)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,18,19)