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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C

InChI

InChI=1S/C13H15N3O2S/c1-9-4-6-11(7-5-9)16-10(2)14-15-13(16)19-8-12(17)18-3/h4-7H,8H2,1-3H3