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

Systemtic Name: 2-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-2-3-8-20-11-6-4-10(5-7-11)13-15-14(17-16-13)21-9-12(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,15,16,17)/p-1