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

Systemtic Name: methyl (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H15N3O3S/c1-8(12(17)19-3)20-13-14-11(15-16-13)9-4-6-10(18-2)7-5-9/h4-8H,1-3H3,(H,14,15,16)/t8-/m1/s1