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

Systemtic Name: ethyl 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenethyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C19H21N5O2S2/c1-2-26-17(25)14-28-19-23-22-16(13-27-18-20-10-6-11-21-18)24(19)12-9-15-7-4-3-5-8-15/h3-8,10-11H,2,9,12-14H2,1H3