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

Systemtic Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C20H20N3O3S- MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-2-15-8-10-17(11-9-15)26-14-18-21-22-20(27-13-12-19(24)25)23(18)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,24,25)/p-1