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

Systemtic Name: 3-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]propionate Formula: C15H17ClN3O3S- MolecularWeight: 354.83178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C15H18ClN3O3S/c1-3-19-13(17-18-15(19)23-7-6-14(20)21)9-22-11-4-5-12(16)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,20,21)/p-1