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

Systemtic Name: methyl 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)OC

InChI

InChI=1S/C14H17N3O2S/c1-9-7-5-6-8-11(9)12-15-16-14(17(12)3)20-10(2)13(18)19-4/h5-8,10H,1-4H3