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

Systemtic Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Openeye Name: 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]propanoic acid CAS Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid IUPAC Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid Traditional Name: 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]propionic acid Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-19-15(18-20(16(19)23)10(2)14(21)22)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,3-9H2,1-2H3,(H,21,22)