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

Systemtic Name: methyl 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-ethyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-5-19-15(13-8-6-12(7-9-13)11(2)3)17-18-16(19)22-10-14(20)21-4/h6-9,11H,5,10H2,1-4H3