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

Systemtic Name: ethyl 3-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCCC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCCC(=O)OCC

InChI

InChI=1S/C17H23N3O3S/c1-4-13-6-8-14(9-7-13)23-12-15-18-19-17(20(15)3)24-11-10-16(21)22-5-2/h6-9H,4-5,10-12H2,1-3H3