2-(pyrimidin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(pyrimidin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(pyrimidin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-pyrimidinylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(pyrimidin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-pyrimidylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NC=CC=N3

InChI

InChI=1S/C16H16N4O4S/c1-21-11-7-10(8-12(22-2)14(11)23-3)15-20-19-13(24-15)9-25-16-17-5-4-6-18-16/h4-8H,9H2,1-3H3