butyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)CC

InChI

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