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

Systemtic Name: 2-[[4-ethyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-]

InChI

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