N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-ethylsulfonyl-benzamide

Systemtic Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-ethylsulfonyl-benzamide Openeye Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-ethylsulfonyl-benzamide CAS Name: 3-ethylsulfonyl-N-[5-[[4-(ethylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide Traditional Name: 3-esyl-N-[5-[4-(ethylthio)benzyl]-1,3,4-oxadiazol-2-yl]benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C20H21N3O4S2/c1-3-28-16-10-8-14(9-11-16)12-18-22-23-20(27-18)21-19(24)15-6-5-7-17(13-15)29(25,26)4-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,23,24)