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

Systemtic Name: ethyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H15N5O2S2 MolecularWeight: 325.4098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CSC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CSC2=NC=CC=N2

InChI

InChI=1S/C12H15N5O2S2/c1-3-19-10(18)8-21-12-16-15-9(17(12)2)7-20-11-13-5-4-6-14-11/h4-6H,3,7-8H2,1-2H3