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

Systemtic Name: propan-2-yl 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H27N3O2S/c1-7-22-17(14-8-10-15(11-9-14)19(4,5)6)20-21-18(22)25-12-16(23)24-13(2)3/h8-11,13H,7,12H2,1-6H3