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

Systemtic Name: ethyl 2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)OCC

InChI

InChI=1S/C16H21N3O3S/c1-3-5-10-22-13-9-7-6-8-12(13)15-17-16(19-18-15)23-11-14(20)21-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,18,19)