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

Systemtic Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-methyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-methyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-methyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C12H15N5O2S2 MolecularWeight: 325.4098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C)CSC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C)CSC2=NC=CC=N2

InChI

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