5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-(diphenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-(diphenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzhydryl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3-(diphenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzhydryl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzhydryl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4OS/c1-15-13-16(2)24-22(23-15)28-14-19-25-21(26-27-19)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3