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

Systemtic Name: methyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-(o-tolyl)-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=CC=C1N2C=NN=C2SC(C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)OC

InChI

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