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

Systemtic Name: methyl 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)OC

InChI

InChI=1S/C12H12ClN3O3S/c1-18-9-4-3-7(13)5-8(9)11-14-12(16-15-11)20-6-10(17)19-2/h3-5H,6H2,1-2H3,(H,14,15,16)