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

Systemtic Name: 2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H19N3O2S MolecularWeight: 293.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=NN4)SCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=NN4)SCC(=O)O

InChI

InChI=1S/C14H19N3O2S/c18-11(19)7-20-13-15-12(16-17-13)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H,18,19)(H,15,16,17)