3-tert-butyl-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C18H20N4OS/c1-12-10-14(13-8-6-5-7-9-13)20-17(19-12)24-11-15-21-16(22-23-15)18(2,3)4/h5-10H,11H2,1-4H3