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

Systemtic Name: methyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)OC

InChI

InChI=1S/C12H13N3O2S/c1-9-5-3-4-6-10(9)15-8-13-14-12(15)18-7-11(16)17-2/h3-6,8H,7H2,1-2H3