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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S2/c1-3-15(17(25)26-4-2)28-19-23-22-16(13-27-18-20-11-8-12-21-18)24(19)14-9-6-5-7-10-14/h5-12,15H,3-4,13H2,1-2H3