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

Systemtic Name: methyl 2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(5-p-anisyl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)OC

InChI

InChI=1S/C13H15N3O3S/c1-18-10-5-3-9(4-6-10)7-11-14-13(16-15-11)20-8-12(17)19-2/h3-6H,7-8H2,1-2H3,(H,14,15,16)