N-[[5-[(4-tert-butylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-[(4-tert-butylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide Openeye Name: N-[[5-[(4-tert-butylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[(4-tert-butylphenyl)thio]methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[(4-tert-butylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[(4-tert-butylphenyl)thio]methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=NO2)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=NO2)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)16-9-11-17(12-10-16)27-14-19-23-18(24-26-19)13-22-20(25)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,25)