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

Systemtic Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C17H17N5O2S2/c1-2-24-15(23)12-26-17-21-20-14(11-25-16-18-9-6-10-19-16)22(17)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3