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

Systemtic Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H13N5O2S2 MolecularWeight: 311.38322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)CSC2=NC=CC=N2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)CSC2=NC=CC=N2

InChI

InChI=1S/C11H13N5O2S2/c1-16-8(6-19-10-12-4-3-5-13-10)14-15-11(16)20-7-9(17)18-2/h3-5H,6-7H2,1-2H3