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

Systemtic Name: methyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)OC

InChI

InChI=1S/C14H17N3O2S/c1-4-10-5-7-11(8-6-10)12-15-14(17-16-12)20-9(2)13(18)19-3/h5-9H,4H2,1-3H3,(H,15,16,17)