ethyl 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)OCC)C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)OCC)C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-4-15-9-7-10-16(5-2)19(15)25-20(17-11-8-12-22-13-17)23-24-21(25)28-14-18(26)27-6-3/h7-13H,4-6,14H2,1-3H3