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

Systemtic Name: methyl 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2,4-dimethylphenyl)-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/c1-9-4-5-11(10(2)6-9)16-8-14-15-13(16)19-7-12(17)18-3/h4-6,8H,7H2,1-3H3