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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCCC(=O)[O-]

InChI

InChI=1S/C16H21N3O3S/c1-3-12-5-7-13(8-6-12)22-11-14-17-18-16(19(14)4-2)23-10-9-15(20)21/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)/p-1