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

Systemtic Name: methyl 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S2/c1-25-16(24)13-27-18-22-21-15(12-26-17-19-9-5-10-20-17)23(18)11-8-14-6-3-2-4-7-14/h2-7,9-10H,8,11-13H2,1H3