2-methylsulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: 2-methylsulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: N-[5-[(4-isopropylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methylsulfonyl-benzamide CAS Name: 2-methylsulfonyl-N-[5-[[4-(propan-2-ylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 2-methylsulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: N-[5-[4-(isopropylthio)benzyl]-1,3,4-oxadiazol-2-yl]-2-mesyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S2/c1-13(2)28-15-10-8-14(9-11-15)12-18-22-23-20(27-18)21-19(24)16-6-4-5-7-17(16)29(3,25)26/h4-11,13H,12H2,1-3H3,(H,21,23,24)