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

Systemtic Name: methyl (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)S[C@H](C)C(=O)OC

InChI

InChI=1S/C13H15N3O2S/c1-8-4-6-10(7-5-8)11-14-13(16-15-11)19-9(2)12(17)18-3/h4-7,9H,1-3H3,(H,14,15,16)/t9-/m1/s1