3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C20H17N3O2S MolecularWeight: 363.43288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H17N3O2S/c1-14-13-16(15-7-3-2-4-8-15)22-19(21-14)26-12-11-23-17-9-5-6-10-18(17)25-20(23)24/h2-10,13H,11-12H2,1H3