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

Systemtic Name: ethyl 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H14ClN3O3S/c1-3-20-11(18)7-21-13-15-12(16-17-13)9-6-8(14)4-5-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,15,16,17)