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

Systemtic Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[4-phenyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[4-phenyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C18H19N5O2S2/c1-3-25-16(24)13(2)27-18-22-21-15(12-26-17-19-10-7-11-20-17)23(18)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3