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

Systemtic Name: methyl 2-[[5-(1-adamantylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-3-21-15(19-20-17(21)24-11-16(22)23-2)10-18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,3-11H2,1-2H3