ethyl 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29N3O2S/c1-3-22-16(20-21-18(22)25-12-17(23)24-4-2)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,3-12H2,1-2H3