2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl-bis(fluoranyl)methyl]-1,3-benzoxazole

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl-bis(fluoranyl)methyl]-1,3-benzoxazole Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl-difluoro-methyl]-1,3-benzoxazole CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]-difluoromethyl]-1,3-benzoxazole IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]-difluoro-methyl]-1,3-benzoxazole Formula: C14H11F2N3OS MolecularWeight: 307.318446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=NC3=CC=CC=C3O2)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C2=NC3=CC=CC=C3O2)(F)F)C

InChI

InChI=1S/C14H11F2N3OS/c1-8-7-9(2)18-13(17-8)21-14(15,16)12-19-10-5-3-4-6-11(10)20-12/h3-7H,1-2H3