2-methylsulfanyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: 2-methylsulfanyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide CAS Name: 2-(methylthio)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 2-methylsulfanyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: 2-(methylthio)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)NC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(O2)NC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H25N3O5S/c1-5-27-16-12-14(13-17(28-6-2)19(16)29-7-3)21-24-25-22(30-21)23-20(26)15-10-8-9-11-18(15)31-4/h8-13H,5-7H2,1-4H3,(H,23,25,26)