2-(1,3-benzoxazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C17H15N5O2S MolecularWeight: 353.3983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C17H15N5O2S/c1-10-7-11(2)19-16(18-10)25-9-12-8-15(23)22(21-12)17-20-13-5-3-4-6-14(13)24-17/h3-8,21H,9H2,1-2H3