N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxy-benzamide

Systemtic Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxy-benzamide Openeye Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxy-benzamide CAS Name: N-[5-[4-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide IUPAC Name: N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[5-[4-(methylthio)phenyl]-1,3,4-oxadiazol-2-yl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23N3O3S/c1-3-4-5-13-26-17-8-6-7-16(14-17)19(25)22-21-24-23-20(27-21)15-9-11-18(28-2)12-10-15/h6-12,14H,3-5,13H2,1-2H3,(H,22,24,25)