methyl 2-[[5-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(5-chloranyl-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(5-chloro-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(5-chloro-2-methoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C14H16ClN3O3S/c1-4-18-13(10-7-9(15)5-6-11(10)20-2)16-17-14(18)22-8-12(19)21-3/h5-7H,4,8H2,1-3H3