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

Systemtic Name: methyl 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-methyl-4-(p-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=C(C=C1)N2C(=NN=C2SCCC(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)OC)C

InChI

InChI=1S/C14H17N3O2S/c1-10-4-6-12(7-5-10)17-11(2)15-16-14(17)20-9-8-13(18)19-3/h4-7H,8-9H2,1-3H3