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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C(=O)OC)SC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

InChI

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