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

Systemtic Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]acetic acid Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C(=NN(C1=S)CC(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H23N3O2S/c1-2-18-14(17-19(15(18)22)9-13(20)21)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,2-9H2,1H3,(H,20,21)