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

Systemtic Name: ethyl 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Openeye Name: ethyl 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]propanoate CAS Name: 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(1-adamantyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]propanoate Traditional Name: 2-[3-(1-adamantyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]propionic acid ethyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-21-17(20-22(18(21)25)12(3)16(23)24-5-2)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,4-11H2,1-3H3